1NM6
thrombin in complex with selective macrocyclic inhibitor at 1.8A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.700, 71.400, 72.300 |
| Unit cell angles | 90.00, 100.50, 90.00 |
Refinement procedure
| Resolution | 500.000 - 1.800 |
| Rwork | 0.216 |
| R-free | 0.23800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 500.000 |
| High resolution limit [Å] | 1.800 |
| Number of reflections | 32157 |
| Completeness [%] | 99.0 |
| Redundancy | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.3 | 298 | PEG 8000, sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
