7WNN
Crystal structure of Imine Reductase from Actinoalloteichus hymeniacidonis in complex with NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-08 |
Detector | DECTRIS EIGER2 S 9M |
Wavelength(s) | 0.97911 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.523, 60.676, 91.396 |
Unit cell angles | 90.00, 92.96, 90.00 |
Refinement procedure
Resolution | 30.420 - 1.530 |
R-factor | 0.1758 |
Rwork | 0.175 |
R-free | 0.19880 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 0.964 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | RESOLVE |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.420 | 1.580 |
High resolution limit [Å] | 1.530 | 1.533 |
Rmerge | 0.522 | |
Number of reflections | 98269 | 7529 |
<I/σ(I)> | 18.21 | 2.24 |
Completeness [%] | 89.3 | 72.69 |
Redundancy | 4.6 | 3.6 |
CC(1/2) | 0.999 | 0.802 |
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 |