3SQH
Crystal structure of prethrombin-2 mutant S195A in the the open form
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 | 2011-04-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.359, 60.043, 49.691 |
| Unit cell angles | 90.00, 96.47, 90.00 |
Refinement procedure
| Resolution | 30.170 - 2.200 |
| R-factor | 0.19185 |
| Rwork | 0.189 |
| R-free | 0.24382 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hag |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.444 |
| 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] | 40.000 | 2.480 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.420 | 2.200 |
| Rmerge | 0.080 | 0.223 | 0.320 |
| Number of reflections | 13204 | ||
| <I/σ(I)> | 15.7 | 5.5 | 3.5 |
| Completeness [%] | 98.8 | 98.8 | 97.9 |
| Redundancy | 4.6 | 4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 0.1 M Tris, 11% PEG8000, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 8.5 |
