6QF7
Crystal structures of the recombinant beta-Factor XIIa protease with bound Thr-Arg and Pro-Arg substrate mimetics
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2013-10-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 131.450, 131.450, 238.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 115.110 - 4.000 |
| R-factor | 0.3031 |
| Rwork | 0.297 |
| R-free | 0.35644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.471 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 115.110 | 4.010 |
| High resolution limit [Å] | 4.000 | 4.000 |
| Number of reflections | 17015 | |
| <I/σ(I)> | 3.8 | |
| Completeness [%] | 94.8 | |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 292 | 0.1 M sodium citrate, pH 5.6 with 10% PEG 4000 and 0.15 M MgCl2 |
