3C1K
Crystal structure of thrombin in complex with inhibitor 15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-06-11 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.839, 72.279, 73.195 |
| Unit cell angles | 90.00, 101.19, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.840 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.600 | 2.000 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.076 | 0.170 |
| Number of reflections | 20535 | |
| <I/σ(I)> | 10.1 | 3 |
| Completeness [%] | 63.0 | 44.3 |
| Redundancy | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | PEK8K, Sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
