4H6T
Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-10-02 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 135.465, 135.465, 42.468 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.790 - 2.400 |
| R-factor | 0.21385 |
| Rwork | 0.212 |
| R-free | 0.25307 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sqh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.525 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP (from ccp4) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 95.790 | 2.700 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.640 | 2.400 |
| Rmerge | 0.070 | 0.325 | 0.440 |
| Number of reflections | 16004 | ||
| <I/σ(I)> | 21.3 | 4.4 | 2.9 |
| Completeness [%] | 98.8 | 98 | 97.8 |
| Redundancy | 8.7 | 5.9 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 295 | 0.2M KH2PO4 and 20% PEG 3350, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
