6ESS
Artificial imine reductase mutant S112A-N118P-K121A-S122M
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-08 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0000 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 58.079, 58.079, 185.125 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.300 - 1.910 |
R-factor | 0.27806 |
Rwork | 0.276 |
R-free | 0.32697 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.628 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.300 | 1.810 |
High resolution limit [Å] | 1.910 | 1.780 |
Rmerge | 0.082 | 2.440 |
Number of reflections | 12759 | 824 |
<I/σ(I)> | 10.2 | 1.6 |
Completeness [%] | 99.6 | 98 |
Redundancy | 11.2 | |
CC(1/2) | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 2.0 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |