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3FZD

Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X6A
Synchrotron siteNSLS
BeamlineX6A
Temperature [K]100
Detector technologyCCD
Collection date2007-06-15
DetectorADSC QUANTUM 210
Wavelength(s)0.9537
Spacegroup nameP 21 21 2
Unit cell lengths105.875, 44.823, 54.172
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution37.850 - 2.350
R-factor0.218
Rwork0.214
R-free0.27700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2bx4
RMSD bond length0.009
RMSD bond angle1.123
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.430
High resolution limit [Å]2.3505.0602.350
Rmerge0.0730.0390.578
Number of reflections11284
Completeness [%]99.999.899.6
Redundancy5.34.94.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP72981.0 M sodium malonate (pH 7.0), 5-6% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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