6V64
Crystal structure of human thrombin bound to ppack with tryptophans replaced by 5-F-tryptophan
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Cu FINE FOCUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-07-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 61.869, 86.599, 50.516 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.160 - 2.290 |
| R-factor | 0.2 |
| Rwork | 0.197 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.766 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.380 |
| High resolution limit [Å] | 2.290 | 2.300 |
| Rmerge | 0.334 | |
| Number of reflections | 12020 | 1045 |
| <I/σ(I)> | 11.7 | |
| Completeness [%] | 94.9 | |
| Redundancy | 5.21 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.2 M Na/K tartrate pH 7.5 14% PEG 3350 |
