4D3D
Structure of Imine Reductase BcSIRED from Bacillus cereus BAG3X2
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 PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.777, 59.593, 214.867 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 107.430 - 1.710 |
| R-factor | 0.17959 |
| Rwork | 0.178 |
| R-free | 0.20988 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zgy |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.061 |
| 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] | 32.450 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Rmerge | 0.060 | 0.600 |
| Number of reflections | 77781 | |
| <I/σ(I)> | 17.7 | 2.6 |
| Completeness [%] | 99.1 | 96.8 |
| Redundancy | 6.6 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 25% (W/V) PEG 3350; 0.2M MGCL2; 0.1M HEPES PH 7.5; PROTEIN AT 50 MG ML-1 |
