8U06
Imine reductase RedE bound with NADP+ and arcyriaflavin A (primary site)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.114, 110.767, 66.987 |
Unit cell angles | 90.00, 107.60, 90.00 |
Refinement procedure
Resolution | 37.750 - 1.600 |
R-factor | 0.1559 |
Rwork | 0.155 |
R-free | 0.18890 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.272 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.750 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.073 | 0.887 |
Rmeas | 0.078 | 0.957 |
Rpim | 0.029 | 0.355 |
Number of reflections | 95462 | 4628 |
<I/σ(I)> | 14.4 | 2.2 |
Completeness [%] | 96.6 | |
Redundancy | 7.1 | |
CC(1/2) | 0.999 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.33 M NaI, 0.1 M Tris-HCl pH 8.5, 23 % PEG 3350, 1.5 mM TCEP |