1ZGI
thrombin in complex with an oxazolopyridine inhibitor 21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-05-16 |
| Detector | RIGAKU RAXIS II |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.930, 71.980, 73.070 |
| Unit cell angles | 90.00, 100.85, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.26400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.088 | 0.402 |
| Number of reflections | 18364 | |
| <I/σ(I)> | 19 | 3.7 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 4.8 |
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 |
