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 |