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 |
