9D6M
Nitrile hydratase BR157K mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-11-10 |
Detector | MAR CCD 300 mm |
Wavelength(s) | 0.97856 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 65.910, 65.910, 184.280 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.540 - 1.560 |
R-factor | 0.1705 |
Rwork | 0.169 |
R-free | 0.19130 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.828 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_5156: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.540 | 1.583 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.067 | 0.737 |
Rmeas | 0.070 | 0.793 |
Rpim | 0.019 | 0.286 |
Number of reflections | 67530 | 3352 |
<I/σ(I)> | 20.6 | |
Completeness [%] | 100.0 | |
Redundancy | 13.1 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.2 M sodium citrate tribasic in 0.1 M HEPES at pH 7.5 |