2BEB
X-ray structure of Asn to Thr mutant of Winged Bean Chymotrypsin inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-02-15 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.501, 129.547, 36.464 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.910 - 2.810 |
R-factor | 0.201 |
Rwork | 0.201 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.800 |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 15.000 |
High resolution limit [Å] | 2.800 |
Rmerge | 0.127 |
Number of reflections | 9349 |
Completeness [%] | 93.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 5% PEG 4000, 50 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |