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7HP0

PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014812-001

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 date2023-09-29
DetectorDECTRIS EIGER2 XE 9M
Wavelength(s)0.92124
Spacegroup nameP 43 2 2
Unit cell lengths42.200, 42.200, 216.120
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.240 - 1.910
R-factor0.23152
Rwork0.228
R-free0.29153
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.633
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0267)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.2201.960
High resolution limit [Å]1.9101.910
Rmerge0.1698.694
Rmeas0.1738.906
Rpim0.0361.914
Total number of observations36996224565
Number of reflections162561151
<I/σ(I)>9.40.5
Completeness [%]99.9
Redundancy22.821.3
CC(1/2)0.9990.397
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.829830% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)

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