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 |
