5L92
The 2.1 A crystal structure of CYP109E1 from Bacillus megaterium in complex with corticosterone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-05-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.973 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.495, 135.701, 61.567 |
| Unit cell angles | 90.00, 114.42, 90.00 |
Refinement procedure
| Resolution | 42.766 - 2.100 |
| R-factor | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ggv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.299 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.980 | 47.980 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.033 | 0.013 | 0.261 |
| Rmeas | 0.040 | ||
| Rpim | 0.022 | ||
| Total number of observations | 156293 | ||
| Number of reflections | 51292 | ||
| <I/σ(I)> | 23.3 | ||
| Completeness [%] | 97.4 | 96.1 | 98.8 |
| Redundancy | 3 | 3.3 | 2.9 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 9% PEG 3350 and 8% tacsimate pH 5.0 |
