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 |