5L90
The crystal structure of substrate-free CYP109E1 from Bacillus megaterium at 2.55 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-30 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.04541 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 121.288, 121.288, 144.161 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.640 - 2.550 |
| R-factor | 0.2166 |
| Rwork | 0.214 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ggv |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.679 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.2.8) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 60.640 | 60.640 | 2.650 |
| High resolution limit [Å] | 2.550 | 9.190 | 2.550 |
| Rmerge | 0.096 | 0.045 | 0.802 |
| Rmeas | 0.104 | ||
| Rpim | 0.039 | ||
| Total number of observations | 293843 | ||
| Number of reflections | 40454 | ||
| <I/σ(I)> | 11.6 | ||
| Completeness [%] | 99.9 | 99.7 | 99.9 |
| Redundancy | 7.3 | 6.9 | 6.9 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 3350, 0.1 M Bis-Tris, pH 6.5 and 4% tacsimate reagent (pH 6.0) |
