2GDE
Thrombin in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-11-02 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.084, 72.169, 70.357 |
| Unit cell angles | 90.00, 99.06, 90.00 |
Refinement procedure
| Resolution | 69.500 - 2.000 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.577 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.500 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.103 | 0.363 |
| Number of reflections | 22924 | |
| <I/σ(I)> | 3.7 | 2 |
| Completeness [%] | 98.0 | 96.3 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | PEG, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
