5AF9
Thrombin in complex with 4-Methoxy-N-(2-pyridinyl)benzamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 113 |
| Detector technology | PIXEL |
| Collection date | 2013-11-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.034, 71.246, 72.138 |
| Unit cell angles | 90.00, 100.38, 90.00 |
Refinement procedure
| Resolution | 70.960 - 1.180 |
| Rwork | 0.121 |
| R-free | 0.13720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h8d |
| 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] | 70.960 | 1.220 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.030 | 0.560 |
| Number of reflections | 108698 | |
| <I/σ(I)> | 19.63 | 2.18 |
| Completeness [%] | 95.1 | 86.1 |
| Redundancy | 4.6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | SEE MATERIALS AND METHODS SECTION OF PUBLICATION, pH 7.5 |
