1A4W
CRYSTAL STRUCTURES OF THROMBIN WITH THIAZOLE-CONTAINING INHIBITORS: PROBES OF THE S1' BINDING SITE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-03-15 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.470, 72.000, 73.390 |
| Unit cell angles | 90.00, 101.13, 90.00 |
Refinement procedure
| Resolution | 7.000 - 1.800 |
| R-factor | 0.155 * |
| Rwork | 0.155 |
| Structure solution method | PREVIOUS STRUCTURE |
| Starting model (for MR) | 1fpc |
| RMSD bond length | 0.016 |
| RMSD bond angle | 0.042 |
| Data reduction software | R-AXIS |
| Data scaling software | R-AXIS |
| Refinement software | PROFFT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.200 | 2.000 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.052 | 0.165 |
| Total number of observations | 52463 * | |
| Number of reflections | 23968 | |
| <I/σ(I)> | 12 | 2.61 |
| Completeness [%] | 69.5 | 48 |
| Redundancy | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.3 | Skrzypczak, J., (1991) J. Mol. Biol., 221, 1379. * |
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 phospahte | 0.1 (M) | |
| 6 | 1 | reservoir | 1-2 (mM) | ||
| 7 | 1 | reservoir | PEG8000 | 25-30 (%(v/v)) |
