8I6N
Crystal structure of Co-type nitrile hydratase mutant from Pseudomonas thermophila - L6T
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 150 |
| Detector technology | PIXEL |
| Collection date | 2020-12-15 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 65.640, 65.640, 184.070 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.160 - 2.200 |
| R-factor | 0.18617 |
| Rwork | 0.183 |
| R-free | 0.24438 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.498 |
| Data reduction software | SAINT |
| Data scaling software | SAINT (V8.38A) |
| Phasing software | PHENIX |
| Refinement software | REFMAC (1.18_3845) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 24.170 | 4.300 | 2.070 |
| High resolution limit [Å] | 1.999 | 3.416 | 1.999 |
| Number of reflections | 23492 | 11983 | 59756 |
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 99.7 | ||
| Redundancy | 2.23 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | sodium citrate, HEPES-NaOH, pH 7.5 |
