8BO6
COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 2
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-10-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.120, 59.634, 67.053 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.561 - 1.250 |
| Rwork | 0.116 |
| R-free | 0.14070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house model |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.661 |
| 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] | 44.561 | 1.280 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmeas | 0.049 | 0.825 |
| Number of reflections | 65835 | 4814 |
| <I/σ(I)> | 23.09 | 2.75 |
| Completeness [%] | 99.4 | |
| Redundancy | 7.9 | |
| CC(1/2) | 1.000 | 0.824 |
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 |
