6BJR
Crystal structure of 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 | 2017-05-22 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 114.126, 124.175, 157.093 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 6.000 |
| R-factor | 0.23935 |
| Rwork | 0.237 |
| R-free | 0.29290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5edm |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.450 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 6.200 |
| High resolution limit [Å] | 6.000 | 6.000 |
| Rmerge | 0.180 | 0.800 |
| Number of reflections | 2633 | 167 |
| <I/σ(I)> | 9.3 | 1.7 |
| Completeness [%] | 87.6 | 59.7 |
| Redundancy | 9 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 277 | 100 mM Bicine, pH 8.5 and 16% PEG3350 |
