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9RHT

Structure of 3CL protease with a bound inhibitor

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2022-06-01
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.00
Spacegroup nameP 21 21 21
Unit cell lengths67.780, 99.410, 103.980
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution56.846 - 1.624
Rwork0.192
R-free0.22560
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.505
Data reduction softwareautoPROC
Data scaling softwareautoPROC
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0405)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]71.8001.759
High resolution limit [Å]1.6241.624
Rpim0.0620.582
Number of reflections673173367
<I/σ(I)>131.7
Completeness [%]91.7
Redundancy13.4
CC(1/2)1.0000.341
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29330mM sodium nitrate, 30mM disodium hydrogen phosphate, 30mM ammonium sulfate, 100mM MES imidazole pH 6.5, 20%(w/v) PEG 550 MME, 10%(w/v) PEG 20K (Morpheus condition C1)

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