7CJ1
The crystal structure of FXIa serine protease domain in complex with benzamidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.997 |
| Spacegroup name | P 31 |
| Unit cell lengths | 49.084, 49.084, 335.136 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.000 - 3.000 |
| R-factor | 0.234 |
| Rwork | 0.232 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zhr |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.163 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 3.050 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.102 | 0.133 |
| Number of reflections | 16815 | 639 |
| <I/σ(I)> | 22.6 | |
| Completeness [%] | 92.3 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25% PEG2000 MME, 0.1 M Tris-Hcl pH8.5 |
