3BIV
Human thrombin-in complex with UB-THR11
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-04-18 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.700, 71.500, 72.800 |
| Unit cell angles | 90.00, 100.90, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.2076 |
| Rwork | 0.208 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k22 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.040 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 29703 | |
| <I/σ(I)> | 16.4 | 6.5 |
| Completeness [%] | 81.9 | 99.8 |
| Redundancy | 2.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | phosphate buffer, sodium chloride, PEG 8000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
