4AP3
Oxidized steroid monooxygenase bound to NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-14 |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 81.750, 81.750, 228.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.440 - 2.390 |
R-factor | 0.20866 |
Rwork | 0.207 |
R-free | 0.23874 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4aos |
RMSD bond length | 0.007 |
RMSD bond angle | 1.213 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0119) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.440 | 2.520 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.070 | 0.260 |
Number of reflections | 31403 | |
<I/σ(I)> | 16.6 | 6.1 |
Completeness [%] | 99.5 | 100 |
Redundancy | 7.7 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.2 | 1.9M MGSO4, 0.1M MES PH 6.2 |