3S69
Crystal structure of saxthrombin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.234, 52.208, 50.103 |
| Unit cell angles | 90.00, 96.72, 90.00 |
Refinement procedure
| Resolution | 21.380 - 1.430 |
| R-factor | 0.18978 |
| Rwork | 0.189 |
| R-free | 0.20213 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.009 |
| 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] | 40.000 | 40.000 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Number of reflections | 45350 | |
| Completeness [%] | 97.5 | 97.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIQUID DIFFUSION | 6.5 | 293 | 0.25M Calcium Acetate, 0.1M Sodium Cacodylate, 16% PEG 8000, pH 6.5, LIQUID DIFFUSION, temperature 293K |
