7WNW
Crystal structure of Imine Reductase Mutant(M5) from Actinoalloteichus hymeniacidonis in complex with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-08 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.97911 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 120.555, 62.444, 93.316 |
Unit cell angles | 90.00, 96.75, 90.00 |
Refinement procedure
Resolution | 31.220 - 2.130 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.25960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wnn |
RMSD bond length | 0.007 |
RMSD bond angle | 0.897 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.220 | 2.210 |
High resolution limit [Å] | 2.130 | 2.130 |
Number of reflections | 38516 | 3792 |
<I/σ(I)> | 4.31 | 2.21 |
Completeness [%] | 99.1 | |
Redundancy | 6.6 | |
CC(1/2) | 0.924 | 0.231 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291.15 | 0.25M ammonium sulfate, 0.1M MES buffer pH 6.0, 25% w/v PEG 4000 |