8U05
Reductasporine biosynthetic pathway imine reductase RedE bound with NADP+
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 | 2017-11-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.740, 111.310, 72.040 |
Unit cell angles | 90.00, 107.04, 90.00 |
Refinement procedure
Resolution | 43.290 - 1.620 |
R-factor | 0.1733 |
Rwork | 0.172 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.852 |
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] | 68.880 | 1.650 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.080 | 0.414 |
Rmeas | 0.087 | 0.449 |
Rpim | 0.034 | 0.172 |
Number of reflections | 75988 | 4141 |
<I/σ(I)> | 12.9 | 4.2 |
Completeness [%] | 88.9 | |
Redundancy | 6.5 | 6.6 |
CC(1/2) | 0.996 | 0.945 |
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, 5 mM beta-mercaptoethanol |