8BO5
COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 3
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-11-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97887 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.761, 59.742, 66.929 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.588 - 1.700 |
| Rwork | 0.154 |
| R-free | 0.17360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.539 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.590 | 1.750 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmeas | 0.082 | 0.742 |
| Number of reflections | 26387 | 2026 |
| <I/σ(I)> | 15.76 | 2.42 |
| Completeness [%] | 99.3 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.998 | 0.752 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M citrate buffer pH 4.5 and 20-30% PEG4000 |
