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7JQO

Crystal structure of the R64D mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-ID
Synchrotron siteAPS
Beamline22-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2019-10-18
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.000
Spacegroup nameP 31 2 1
Unit cell lengths103.804, 103.804, 86.850
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution34.000 - 1.600
R-factor0.1135
Rwork0.112
R-free0.15180
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.010
RMSD bond angle1.575
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.630
High resolution limit [Å]1.6001.600
Number of reflections712163413
<I/σ(I)>30.9
Completeness [%]99.7
Redundancy9.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2932.0M Ammounium Sulfate, 2% PEG400, 10mM CdCl2

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