4D3F
BcSIRED from Bacillus cereus in complex with NADPH
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 | 2014-10-02 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.230, 62.780, 214.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 107.250 - 1.810 |
| R-factor | 0.17356 |
| Rwork | 0.172 |
| R-free | 0.19660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zgy |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.998 |
| 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] | 107.250 | 1.860 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.030 | 0.630 |
| Number of reflections | 69092 | |
| <I/σ(I)> | 18.8 | 2.7 |
| Completeness [%] | 99.3 | 99.8 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 30% (W/V) PEG 3350; 0.2M MGCL2; 0.1M HEPES PH 7.5; PROTEIN AT 50 MG ML-1 |
