6EO9
Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
Replaces: 4NZEExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979500 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 67.460, 71.640, 71.800 |
| Unit cell angles | 90.00, 100.21, 90.00 |
Refinement procedure
| Resolution | 37.860 - 1.840 |
| R-factor | 0.20054 |
| Rwork | 0.198 |
| R-free | 0.24775 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.043 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | Sir2014 (REMO) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 37.860 |
| High resolution limit [Å] | 1.840 |
| Number of reflections | 26949 |
| <I/σ(I)> | 2 |
| Completeness [%] | 96.7 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG 4000, 0.1M HEPES pH7.0, 0.75M NaCl, 0.04% NaN3, VAPOR DIFFUSION, HANGING DROP, temperature 277K, temperature 293K |
