4OQZ
Streptomyces aurantiacus imine reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-06 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 50.272, 73.964, 166.503 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.130 - 1.960 |
R-factor | 0.2182 |
Rwork | 0.216 |
R-free | 0.24960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data scaling software | autoPROC |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.130 | 1.963 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.066 | 0.013 |
Number of reflections | 22908 | |
<I/σ(I)> | 21.5 | 2.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.6 | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 278 | 25% PEG 3350, 0.2 M MgCl2, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 278K |