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7GZ6

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0000243-001

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-09-30
DetectorDECTRIS EIGER2 XE 9M
Wavelength(s)0.9212
Spacegroup nameP 43
Unit cell lengths88.894, 88.894, 39.492
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution16.720 - 1.150
R-factor0.1785
Rwork0.177
R-free0.19840
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.060
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.4)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]62.8601.210
High resolution limit [Å]1.1501.150
Rmerge0.0710.373
Rmeas0.0740.506
Rpim0.0210.340
Total number of observations8510994922
Number of reflections924933892
<I/σ(I)>14.10.7
Completeness [%]83.4
Redundancy9.21.3
CC(1/2)0.9980.875
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP9.5293100 mM CHES (pH 9.5) and 30% PEG-3000

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