1A61
THROMBIN COMPLEXED WITH A BETA-MIMETIC THIAZOLE-CONTAINING INHIBITOR
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-07-15 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.850, 72.410, 72.970 |
| Unit cell angles | 90.00, 101.00, 90.00 |
Refinement procedure
| Resolution | 7.000 - 2.200 |
| Rwork | 0.148 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.050 |
| Data reduction software | R-AXIS |
| Data scaling software | R-AXIS |
| Refinement software | PROFFT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.052 | 0.147 |
| Total number of observations | 35010 * | |
| Number of reflections | 14517 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 77.0 | 54 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.3 | THROMBIN-HIRUGEN WAS CRYSTALLIZED FROM 0.1 M SODIUM PHOSPHATE BUFFER AT PH 7.3, 28% PEG 8000 IN HANGING DROPS WITH MACROSEEDING. THE MOL 127 INHIBITOR WAS ADDED BY SOAKING., vapor diffusion - hanging drop and macroseeding |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3.0-3.7 (mg/ml) | |
| 2 | 1 | drop | sodium phosphate | 0.05 (M) | |
| 3 | 1 | drop | 0.375 (M) | ||
| 4 | 1 | drop | 0.5 (mM) | ||
| 5 | 1 | reservoir | sodium phosphate | 0.1 (M) | |
| 6 | 1 | reservoir | 1-2 (mM) | ||
| 7 | 1 | reservoir | PEG8000 | 25-30 (%(v/v)) |
