7SJZ
Crystal structure of aS162A mutant of Co-type nitrile hydratase from Pseudonocardia thermophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-22 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 65.910, 65.910, 186.230 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.050 - 1.850 |
| R-factor | 0.16715 |
| Rwork | 0.165 |
| R-free | 0.21121 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ire |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.642 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.660 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.055 | 0.050 |
| Number of reflections | 40335 | 40335 |
| <I/σ(I)> | 30.2 | |
| Completeness [%] | 98.2 | |
| Redundancy | 8.55 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277.15 | 1.2 M sodium citrate, 0.1 M HEPES |
