6EO8
Crystal structure of thrombin in complex with a novel glucose-conjugated potent inhibitor
Replaces: 4N3LExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2012-07-23 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 66.990, 71.660, 71.790 |
| Unit cell angles | 90.00, 99.70, 90.00 |
Refinement procedure
| Resolution | 70.760 - 1.940 |
| R-factor | 0.21191 |
| Rwork | 0.210 |
| R-free | 0.24757 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.036 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | Sir2014 (REMO) |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 70.760 |
| High resolution limit [Å] | 1.940 |
| Number of reflections | 24599 |
| <I/σ(I)> | 1.7 |
| Completeness [%] | 98.6 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% PEG 4000, 0.1M HEPES pH7.0, 0.75M NaCl, 0.04% NaN3, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
