3HK6
Crystal structure of murine thrombin mutant W215A/E217A (two molecules in the asymmetric unit)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-05-14 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 70.394, 70.394, 293.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.200 |
| R-factor | 0.22616 |
| Rwork | 0.222 |
| R-free | 0.31419 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tq0 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.926 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.260 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.105 | 0.378 |
| Number of reflections | 12201 | |
| <I/σ(I)> | 14.6 | 3.5 |
| Completeness [%] | 93.3 | 72.8 |
| Redundancy | 6.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 200mM Ammonium dihydrogen phosphate, 14% PEG 3350, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
