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 |