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7HZD

Group deposition of Coxsackievirus A16 (G-10) 2A protease in complex with inhibitors from the ASAP AViDD centre -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with ASAP-0036393-001 (A71EV2A-x4538)

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 date2024-12-13
DetectorDECTRIS EIGER2 XE 9M
Wavelength(s)0.92201
Spacegroup nameC 1 2 1
Unit cell lengths73.315, 62.312, 33.010
Unit cell angles90.00, 93.11, 90.00
Refinement procedure
Resolution47.450 - 1.762
R-factor0.2454
Rwork0.244
R-free0.27670
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle0.970
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareBUSTER (2.10.4 (23-JAN-2024))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.4701.800
High resolution limit [Å]1.7601.760
Rmerge0.2084.055
Rmeas0.2254.415
Rpim0.0851.727
Total number of observations1007965240
Number of reflections14760818
<I/σ(I)>5.60.3
Completeness [%]99.7
Redundancy6.86.4
CC(1/2)0.9950.297
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP6.05293.150.1 M MES, pH 6.05, 16 % PEG 20,000

238895

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