3HK3
Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric unit)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-12-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.647, 63.939, 95.024 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.310 - 1.940 |
| R-factor | 0.1834 |
| Rwork | 0.181 |
| R-free | 0.23545 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tq0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.374 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.310 | 1.980 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.081 | 0.280 |
| Number of reflections | 21296 | |
| <I/σ(I)> | 17.2 | 3.3 |
| Completeness [%] | 94.9 | 87 |
| Redundancy | 5.8 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 295 | 200mM Ammonium chloride, 20% PEG 3350, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
