4UEH
Thrombin in complex with benzamidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 113 |
| Detector technology | PIXEL |
| Collection date | 2013-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.421, 71.512, 72.465 |
| Unit cell angles | 90.00, 100.47, 90.00 |
Refinement procedure
| Resolution | 35.756 - 1.160 |
| R-factor | 0.1216 |
| Rwork | 0.121 |
| R-free | 0.13830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h8d |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.458 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.760 | 1.200 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.030 | 0.440 |
| Number of reflections | 444822 | |
| <I/σ(I)> | 17.7 | 2.52 |
| Completeness [%] | 95.7 | 84.3 |
| Redundancy | 3.8 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5 |
