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9Y8W

MERS Mpro with EGT710

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 5.0.1
Synchrotron siteALS
Beamline5.0.1
Temperature [K]100
Detector technologyPIXEL
Collection date2024-07-03
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97741
Spacegroup nameP 21 21 21
Unit cell lengths87.114, 94.645, 153.924
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution75.810 - 3.040
R-factor0.2305
Rwork0.228
R-free0.27800
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.002
RMSD bond angle0.442
Data reduction softwareautoPROC
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.21.2_5419+SVN)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]80.6203.200
High resolution limit [Å]3.0403.040
Number of reflections237043589
<I/σ(I)>4
Completeness [%]94.3
Redundancy4.4
CC(1/2)0.9010.430
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2940.1M Hepes pH 7.5, 8% Ethylene Glycol, 10% Peg 8000

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