4USQ
Structure of flavin-containing monooxygenase from Cellvibrio sp. BR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2014-03-12 |
Detector | DECTRIS PILATUS |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 115.410, 95.090, 92.370 |
Unit cell angles | 90.00, 126.26, 90.00 |
Refinement procedure
Resolution | 22.350 - 2.390 |
R-factor | 0.24783 |
Rwork | 0.246 |
R-free | 0.28662 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4a9w |
RMSD bond length | 0.014 |
RMSD bond angle | 1.662 |
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] | 22.440 | 2.450 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.090 | 0.500 |
Number of reflections | 31344 | |
<I/σ(I)> | 9 | 2.9 |
Completeness [%] | 98.1 | 98.4 |
Redundancy | 3.2 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 1.5 M AMMONIUM SULFATE AND 1% (W/V)PROPAN-2-OL PH 7.0 |