5GIM
Crystal structure of thrombin-avathrin complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-17 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5419 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.470, 71.580, 71.720 |
| Unit cell angles | 90.00, 99.86, 90.00 |
Refinement procedure
| Resolution | 70.660 - 2.090 |
| R-factor | 0.181 |
| Rwork | 0.179 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hgt |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.323 |
| Data scaling software | Aimless (0.3.11) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.660 | 2.150 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.052 | 0.137 |
| Number of reflections | 19156 | |
| <I/σ(I)> | 16.5 | |
| Completeness [%] | 92.7 | 82.9 |
| Redundancy | 3.8 | 3.6 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | 0.1M HEPES, 20-25% PEG 8000 |
