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2C3S

Structure Of Sars Cov Main Proteinase At 1.9 A (Ph6.5)

Replaces:  2BW6
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID14-4
Synchrotron siteESRF
BeamlineID14-4
Temperature [K]100
Detector technologyCCD
Collection date2004-11-04
DetectorADSC CCD
Spacegroup nameP 21 21 2
Unit cell lengths107.742, 44.882, 54.231
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.900
R-factor0.2256
Rwork0.226
R-free0.26430
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1uj1
RMSD bond length0.006
RMSD bond angle1.317
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]54.0002.000
High resolution limit [Å]1.9001.900
Rmerge0.0800.310
Number of reflections21035
<I/σ(I)>4.65.9
Completeness [%]98.288.2
Redundancy85.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.50.1 M MES PH 6.5 AND 0.6 M(NH4)2SO4

219869

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