6PXJ
Crystal structure of human thrombin mutant I16T
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 | 2019-03-14 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 81.595, 151.399, 50.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.770 - 1.700 |
| R-factor | 0.1742 |
| Rwork | 0.173 |
| R-free | 0.20310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ppb |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.853 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 68725 | 3328 |
| <I/σ(I)> | 23.9 | |
| Completeness [%] | 98.5 | 97.3 |
| Redundancy | 6.2 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 200 mM Mg formate, 20% PEG 3350 |
