7W8M
Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - A129R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 150 |
| Detector technology | PIXEL |
| Collection date | 2021-04-21 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 65.517, 65.517, 183.754 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 22.370 - 2.600 |
| R-factor | 0.1805 |
| Rwork | 0.177 |
| R-free | 0.24020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ire |
| Data reduction software | SAINT |
| Data scaling software | SAINT (V8.38A) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.18_3845) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 22.370 | 5.571 | 2.690 |
| High resolution limit [Å] | 2.598 | 4.433 | 2.598 |
| Number of reflections | 14569 | 5247 | 26226 |
| <I/σ(I)> | 12.27 | ||
| Completeness [%] | 96.9 | ||
| Redundancy | 1.82 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | sodium citrate, HEPES-NaOH, pH 7.5 |
