3JZ2
Crystal structure of human thrombin mutant N143P in E* form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-08-16 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 43 |
| Unit cell lengths | 57.890, 57.890, 119.770 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.300 - 2.400 |
| R-factor | 0.19194 |
| Rwork | 0.189 |
| R-free | 0.24649 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PEB entry 3BEI |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.431 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (from CCP4) |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.076 | 0.408 |
| Number of reflections | 14942 | |
| <I/σ(I)> | 19 | 2.2 |
| Completeness [%] | 96.7 | 77.8 |
| Redundancy | 5.6 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 0.1M imidazole and 7% PEG 8000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
