6C2W
Crystal structure of human prothrombin mutant S101C/A470C
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 | 2017-11-17 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 85.030, 85.074, 153.801 |
| Unit cell angles | 105.35, 90.00, 90.05 |
Refinement procedure
| Resolution | 30.320 - 4.120 |
| R-factor | 0.28085 |
| Rwork | 0.278 |
| R-free | 0.33298 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5EDM and 3NXP |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.177 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 4.170 |
| High resolution limit [Å] | 4.100 | 4.100 |
| Rmerge | 0.156 | 0.675 |
| Number of reflections | 30018 | 1219 |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 91.7 | 74.1 |
| Redundancy | 2.5 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 277 | 100 mM Bicine, pH 9.0 and 11% PEG 3350 |
