4AP1
Oxidized steroid monooxygenase bound to NADP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-30 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 82.170, 82.170, 228.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.100 - 2.950 |
R-factor | 0.20239 |
Rwork | 0.200 |
R-free | 0.24878 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4aos |
RMSD bond length | 0.009 |
RMSD bond angle | 1.439 |
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] | 58.100 | 3.110 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.110 | 0.500 |
Number of reflections | 17327 | |
<I/σ(I)> | 14 | 4.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.9 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.2 | 1.9M MGSO4, 0.1M MES PH 6.2 |