7JQK
Crystal structure of the R64A mutant of Bauhinia Bauhinioides Kallikrein Inhibitor complexed with Human Kallikrein 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 104.036, 104.036, 86.801 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 90.100 - 1.330 |
R-factor | 0.1199 |
Rwork | 0.119 |
R-free | 0.15330 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.021 |
RMSD bond angle | 2.314 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.100 | 1.350 |
High resolution limit [Å] | 1.330 | 1.330 |
Number of reflections | 119509 | 3446 |
<I/σ(I)> | 24 | |
Completeness [%] | 95.4 | |
Redundancy | 8.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 2.0M Ammonium Sulfate 2% PEG400, 10mM CdCl2 at pH 7.5 |