2ZHQ
Thrombin Inhibition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-03-11 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 71.100, 71.400, 72.900 |
| Unit cell angles | 90.00, 100.80, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.960 |
| R-factor | 0.1969 |
| Rwork | 0.193 |
| R-free | 0.27220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h8d |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.021 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 24126 | |
| <I/σ(I)> | 12.59 | 2.76 |
| Completeness [%] | 93.7 | 96.7 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Phosphate Buffer, Sodium Chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
