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A careful theoretical analysis of the crystal-beam-solvent heat transfer and the implications for the design of rational cryoprotocols.
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Three-dimensional numerical analysis of convection and conduction cooling of spherical biocrystals with localised heating from synchrotron X-ray beams
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Thorough theoretical analysis of heat production and transfer during X-ray irradiation, with an excellent discussion of all the variables involved.
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How does radiation damage in protein crystals depend on X-ray dose?
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Is radiation damage dependent on the dose rate used during macromolecular crystallography data collection?
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Leiros H.K., Timmins J., Ravelli R.B.G., and McSweeney S.M. Is radiation damage dependent on the dose rate used during macromolecular crystallography data collection?. Acta Cryst D62 (2006) 125-132
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Experimental determination of the radiation dose limit for cryocooled protein crystals
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Measurement of the experimental dose limit for cryocooled (100 K) protein crystals.
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X-ray absorption by macromolecular crystals: the effects of wavelength and crystal composition on absorbed dose
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Murray J.W., Garman E.F., and Ravelli R.B.G. X-ray absorption by macromolecular crystals: the effects of wavelength and crystal composition on absorbed dose. J Applied Crystallography 37 (2004) 513-522
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Henderson, R.1
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20644465999
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On the influence of the incident photon energy on the radiation damage in crystalline biological samples
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First systematic experimental study to investigate the question: 'is radiation damage in MX wavelength dependent?'
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Weiss M.S., Panjikar S., Mueller-Dieckmann C., and Tucker P.A. On the influence of the incident photon energy on the radiation damage in crystalline biological samples. J Synchrotron Radiation 12 (2005) 304-309. First systematic experimental study to investigate the question: 'is radiation damage in MX wavelength dependent?'
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Weiss, M.S.1
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20644436026
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Will reduced radiation damage occur with very small crystals?
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Original Monte Carlo simulation that gives hope for collecting MX data from microcrystals.
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Nave C., and Hill M.A. Will reduced radiation damage occur with very small crystals?. J Synchrotron Radiation 12 (2005) 299-303. Original Monte Carlo simulation that gives hope for collecting MX data from microcrystals.
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Nave, C.1
Hill, M.A.2
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Murray J., and Garman E. Investigation of possible free-radical scavengers and metrics for radiation damage in protein cryocrystallography. J Synchrotron Radiation 9 (2002) 347-354
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Zwart P.H., Banumathi S., Dauter M., and Dauter Z. Radiation-damage-induced phasing with anomalous scattering: substructure solution and phasing. Acta Cryst D60 (2004) 1958-1963
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Zwart, P.H.1
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SAD phasing with triiodide, softer X-rays and some help from radiation damage
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Evans G., Polentarutti M., Djinovic Carugo K., and Bricogne G. SAD phasing with triiodide, softer X-rays and some help from radiation damage. Acta Cryst D59 (2003) 1429-1434
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25
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32944455892
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Careful and clearly presented analysis of the radiation-induced site-specific damage of mercury derivatives during the phasing of a protein of unknown structure.
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Ramagopal U.A., Dauter Z., Thirumuruhan R., Fedorov E., and Almo S.C. Radiation-induced site-specific damage of mercury derivatives: phasing and implications. Acta Cryst D61 (2005) 1289-1298. Careful and clearly presented analysis of the radiation-induced site-specific damage of mercury derivatives during the phasing of a protein of unknown structure.
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Ramagopal, U.A.1
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26
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20644468602
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Parameters affecting the X-ray dose absorbed by macromolecular crystals
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Murray J.W., Rudino-Pinera E., Owen R.L., Grininger M., Ravelli R.B.G., and Garman E.F. Parameters affecting the X-ray dose absorbed by macromolecular crystals. J Synchrotron Radiation 12 (2005) 268-275
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Murray, J.W.1
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Low-temperature behavior of water confined by biological macromolecules and its relation to protein dynamics
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A review summarising previous landmark results on the glass transition in protein crystals, largely by the same author.
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Weik M. Low-temperature behavior of water confined by biological macromolecules and its relation to protein dynamics. Eur Phys J E Soft Matter 12 (2003) 153-158. A review summarising previous landmark results on the glass transition in protein crystals, largely by the same author.
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Crystal Structure of the L intermediate of bacteriorhodopsin: evidence for the vertical translocation during the proton pumping cycle
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One of a series of studies that investigate the light cycle of bacteriorhodopsin while carefully accounting for X-ray radiation-damage, using a cleverly devised experimental protocol.
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Kouyama T., Nishikawa T., Tokuhisa T., and Okumura H. Crystal Structure of the L intermediate of bacteriorhodopsin: evidence for the vertical translocation during the proton pumping cycle. J Mol Biol 335 2 (2004) 531-546. One of a series of studies that investigate the light cycle of bacteriorhodopsin while carefully accounting for X-ray radiation-damage, using a cleverly devised experimental protocol.
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Initial events in the photocycle of photoactive yellow protein
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Kort R., Hellingwerf K.J., and Ravelli R.B.G. Initial events in the photocycle of photoactive yellow protein. J Biol Chem 279 (2004) 26417-26424
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Kort, R.1
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DNA apophotolyase from Anacystis nidulans: 1.8 Å structure, 8-HDF reconstitution and X-ray-induced FAD reduction
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Kort R., Komori H., Adachi S., Miki K., and Aker E. DNA apophotolyase from Anacystis nidulans: 1.8 Å structure, 8-HDF reconstitution and X-ray-induced FAD reduction. Acta Cryst D60 (2004) 1205-1213
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The catalytic pathway of horseradish peroxidase at high resolution
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Ingenious data collection strategy that allowed the observation of snapshots of an X-ray redox titration.
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Berglund G.I., Carlsson G.H., Smith A.T., Szoke H., Henriksen A., and Hajdu J. The catalytic pathway of horseradish peroxidase at high resolution. Nature 417 (2002) 463-468. Ingenious data collection strategy that allowed the observation of snapshots of an X-ray redox titration.
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Nature
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Berglund, G.I.1
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33
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Strain relief at the active site of phosphoserine aminotransferase induced by radiation damage
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Dubnovitsky A.P., Ravelli R.B.G., Popov A.N., and Papageorgiou A.C. Strain relief at the active site of phosphoserine aminotransferase induced by radiation damage. Protein Sci 14 (2005) 1498-1507
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Protein Sci
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Dubnovitsky, A.P.1
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34
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0037830694
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Tryparedoxins from Crithidia fasciculata and Trypanosoma brucei: photoreduction of the redox disulfide using synchrotron radiation and evidence for a conformational switch implicated in function
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Alphey M.S., Gabrielsen M., Micossi E., Leonard G.A., McSweeney S.M., Ravelli R.B.G., Tetaud E., Fairlamb A.H., Bond C.S., and Hunter W.N. Tryparedoxins from Crithidia fasciculata and Trypanosoma brucei: photoreduction of the redox disulfide using synchrotron radiation and evidence for a conformational switch implicated in function. J Biol Chem 278 (2003) 25919-25925
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Alphey, M.S.1
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Hunter, W.N.10
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35
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24344492710
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Oxidised and synchrotron cleaved structures of the disulfide redox center in the N-terminal domain of Salmonella typhimurium AhpF
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Roberts B.R., Wood Z.A., Jonsson T.J., Poole L.B., and Karplus P.A. Oxidised and synchrotron cleaved structures of the disulfide redox center in the N-terminal domain of Salmonella typhimurium AhpF. Protein Sci 14 (2005) 2414-2420
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Roberts, B.R.1
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36
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10044280323
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Crystal structure of a photolyase bound to a CPD-like DNA lesion after in situ repair
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Fascinating and well-described structure of a synthetic lesion in DNA, repaired by radiation damage in the X-ray beam.
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Mees A., Klar T., Gnau P., Hennecke U., Eker A.P.M., Carell T., and Essen L.-O. Crystal structure of a photolyase bound to a CPD-like DNA lesion after in situ repair. Science 306 (2004) 1789-1793. Fascinating and well-described structure of a synthetic lesion in DNA, repaired by radiation damage in the X-ray beam.
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Science
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Mees, A.1
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37
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Some aspects of quantitative analysis and correction of radiation damage
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Diederichs K. Some aspects of quantitative analysis and correction of radiation damage. Acta Cryst D62 (2006) 96-101
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Acta Cryst
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0038521325
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Zero-dose extrapolation as part of macromolecular synchrotron data reduction
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Diederichs K., McSweeney S., and Ravelli R.B.G. Zero-dose extrapolation as part of macromolecular synchrotron data reduction. Acta Cryst D59 (2003) 903-909
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Acta Cryst
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Diederichs, K.1
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Structural effects of radiation damage and its potential for phasing
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Banumathi S., Zwart P.H., Ramagopal U.A., Dauter M., and Dauter Z. Structural effects of radiation damage and its potential for phasing. Acta Cryst D60 (2004) 1085-1093
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Banumathi, S.1
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20644438646
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Phasing in the presence of radiation damage
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Ravelli R.B.G., Nanao M.H., Lovering A., White S., and McSweeney S. Phasing in the presence of radiation damage. J Synchrotron Radiation 12 (2005) 276-284
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J Synchrotron Radiation
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Ravelli, R.B.G.1
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41
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16644393616
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Phasing in the presence of severe site-specific radiation damage through dose-dependent modelling of heavy atoms
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Adaptation of the widely used phasing program 'Sharp' to account for radiation-damage-induced changes in real space. The authors demonstrate that this can result in greatly improved experimental maps for a brominated RNA structure.
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Schiltz M., Dumas P., Ennifar E., Flensburg C., Paciorek W., Vonrhein C., and Bricogne G. Phasing in the presence of severe site-specific radiation damage through dose-dependent modelling of heavy atoms. Acta Cryst D60 (2004) 1024-1031. Adaptation of the widely used phasing program 'Sharp' to account for radiation-damage-induced changes in real space. The authors demonstrate that this can result in greatly improved experimental maps for a brominated RNA structure.
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Acta Cryst
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Schiltz, M.1
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43
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33644878458
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A quantitative approach to data collection strategies
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Statistical modelling of all parameters in the diffraction experiment, including radiation damage, allowing rational optimization of data collection strategies.
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Bourenkov G.P., and Popov A.N. A quantitative approach to data collection strategies. Acta Cryst D62 (2006) 58-64. Statistical modelling of all parameters in the diffraction experiment, including radiation damage, allowing rational optimization of data collection strategies.
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Acta Cryst
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Bourenkov, G.P.1
Popov, A.N.2
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44
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0037317546
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Specific radiation damage can be used to solve macromolecular crystal structures
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Proof of principle of the viability of RIP for determining protein and DNA structures.
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Ravelli R.B.G., Schrøder-Leiros H.K., Pan B., Caffrey M., and McSweeney S. Specific radiation damage can be used to solve macromolecular crystal structures. Structure Fold Des 11 (2003) 217-224. Proof of principle of the viability of RIP for determining protein and DNA structures.
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Structure Fold Des
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Ravelli, R.B.G.1
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45
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16544391287
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Determination of a novel structure by a combination of long-wavelength sulfur phasing and radiation-damage-induced phasing
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Weiss M.S., Mander G., Hedderich R., Diederichs K., Ermler U., and Warkentin E. Determination of a novel structure by a combination of long-wavelength sulfur phasing and radiation-damage-induced phasing. Acta Cryst D60 (2004) 686-695
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Weiss, M.S.1
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46
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33645963328
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Phasing macromolecular structures with UV-induced structural changes
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An elegant paper that describes how UV light can be used to inflict damage for RIP, therefore providing some advantages. These results pave the way for in-house UV-RIP structure determination.
-
Nanao M.H., and Ravelli R.B.G. Phasing macromolecular structures with UV-induced structural changes. Structure 14 (2006) 791-800. An elegant paper that describes how UV light can be used to inflict damage for RIP, therefore providing some advantages. These results pave the way for in-house UV-RIP structure determination.
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(2006)
Structure
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