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 |
