3S7H
Structure of thrombin mutant Y225P in the E* 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 | 2010-12-08 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | P 43 |
| Unit cell lengths | 57.620, 57.620, 119.914 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.530 - 1.900 |
| R-factor | 0.176 |
| Rwork | 0.175 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bei |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.142 |
| 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 | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.073 | 0.418 |
| Number of reflections | 30093 | |
| <I/σ(I)> | 20.7 | 2.4 |
| Completeness [%] | 97.8 | 86.3 |
| Redundancy | 6.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 295 | 0.1 M Tris and 8% PEG 8000 , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
