1EB1
Complex structure of human thrombin with N-methyl-arginine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-15 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.839, 71.508, 71.710 |
| Unit cell angles | 90.00, 99.34, 90.00 |
Refinement procedure
| Resolution | 17.000 * - 1.800 |
| R-factor | 0.191 |
| Rwork | 0.191 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hgt |
| RMSD bond length | 0.012 |
| RMSD bond angle | 24.100 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.000 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.057 | 0.298 |
| Total number of observations | 156090 * | |
| Number of reflections | 30387 | |
| <I/σ(I)> | 10.4 | 2.5 |
| Completeness [%] | 94.4 | 92.6 |
| Redundancy | 2.2 * | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | other * | 8 | Steinmetzer, T., (2000) Biol. Chem., 381, 603. * |
