2BDY
thrombin in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-06-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54179 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 69.918, 71.649, 71.234 |
| Unit cell angles | 90.00, 99.56, 90.00 |
Refinement procedure
| Resolution | 70.710 - 1.610 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.426 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.710 | 1.700 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.132 | 0.355 |
| Number of reflections | 43774 | |
| <I/σ(I)> | 3.4 | 2.1 |
| Completeness [%] | 97.9 | 91.9 |
| Redundancy | 3.7 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 298 | 27% PEG8000, 0.1M sodium phosphate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
