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7GOD

PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1331830630

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2023-01-24
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.92124
Spacegroup nameP 21 21 21
Unit cell lengths42.770, 62.280, 147.350
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.600 - 1.470
R-factor0.19096
Rwork0.190
R-free0.20981
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.728
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.5701.510
High resolution limit [Å]1.4701.470
Rmerge0.1522.728
Rmeas0.1592.880
Rpim0.0450.912
Total number of observations84277648323
Number of reflections680164962
<I/σ(I)>10.40.8
Completeness [%]100.0
Redundancy12.49.7
CC(1/2)0.9980.365
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.1429825% PEG 3350, 0.1M Tris, 0.2M Ammonium acetate

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