1V29
Crystal structure of Nitrile hydratase from a thermophile Bacillus smithii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1995-07-03 |
Detector | RIGAKU RAXIS IIC |
Wavelength(s) | 1.5418 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 158.420, 158.420, 126.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.600 |
R-factor | 0.187 |
Rwork | 0.185 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.060 |
RMSD bond angle | 1.100 |
Data reduction software | crystal (clear) |
Data scaling software | CrystalClear ((MSC/RIGAKU)) |
Phasing software | AMoRE |
Refinement software | CNX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.109 | |
Number of reflections | 23680 | |
Completeness [%] | 94.9 | 95.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | PEG400, magnesium chloride, hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |