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 |
