4D3S
Imine reductase from Nocardiopsis halophila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2014-05-23 |
| Detector | DECTRIS PIXEL |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 141.170, 153.920, 105.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.570 - 2.240 |
| R-factor | 0.23199 |
| Rwork | 0.230 |
| R-free | 0.26577 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zgy |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.656 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.570 | 2.470 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.070 | 0.550 |
| Number of reflections | 94683 | |
| <I/σ(I)> | 15.1 | 3.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 18% (W/V) PEG 3350; 0. 2 M MGCL2; 0.1M BIS-TRIS PROPANE PH 5.5; 1% (W/V) N-OCTYL-BETA-D-OCTYLPYRANOSIDE |
