6P9U
Crystal structure of human thrombin mutant W215A
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 | 2015-12-27 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 136.320, 44.232, 136.187 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 32.590 - 3.300 |
| R-factor | 0.22869 |
| Rwork | 0.225 |
| R-free | 0.30801 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1shh |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.818 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.360 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 22632 | 1103 |
| <I/σ(I)> | 2 | |
| Completeness [%] | 90.4 | 90.6 |
| Redundancy | 4.1 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10 mM ZnSO4, 100 mM MES and 25% PEG 550 MME |
