7A3W
Structure of Imine Reductase from Pseudomonas sp.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2019-04-08 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.440, 65.391, 81.877 |
Unit cell angles | 90.00, 91.51, 90.00 |
Refinement procedure
Resolution | 81.850 - 1.590 |
R-factor | 0.1918 |
Rwork | 0.190 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6eod |
RMSD bond length | 0.009 |
RMSD bond angle | 1.488 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.850 | 1.620 |
High resolution limit [Å] | 1.590 | 1.590 |
Rmerge | 0.050 | 0.460 |
Rpim | 0.050 | 0.400 |
Number of reflections | 57157 | 3245 |
<I/σ(I)> | 12.3 | 2.7 |
Completeness [%] | 83.0 | |
Redundancy | 4 | |
CC(1/2) | 1.000 | 0.850 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Tris buffer pH 6.5, 25% (w/v) PEG (polyethylene glycol) 3350 and 5 mM NADP+. |