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1DWG

STUDY ON RADIATION DAMAGE ON A CRYOCOOLED CRYSTAL: PART 3 STRUCTURE AFTER IRRADIATION WITH 18.2*10E15 PHOTONS/MM2.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-3
Synchrotron siteESRF
BeamlineID14-3
Temperature [K]100
Detector technologyCCD
Collection date1998-04-15
DetectorMARRESEARCH
Spacegroup nameC 2 2 21
Unit cell lengths134.300, 136.400, 80.300
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution15.000 - 2.000
R-factor0.184
Rwork0.184
R-free0.19300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1myr
RMSD bond length0.029
RMSD bond angle23.300

*

Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareX-PLOR
Refinement softwareX-PLOR (3.843)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.9002.100
High resolution limit [Å]2.0002.000
Rmerge0.0510.186
Number of reflections51390
<I/σ(I)>5.92.7
Completeness [%]99.899.8
Redundancy3.43
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5HANGING DROP METHOD, 12 MG/ML PROTEIN IN 30 MM HEPES, PH 6.5, 0.05 % NAN3 PRECIPITANT 66% SATURATED AMMONIUM SULFATE, 100MM TRIS-HCL

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