5M0N
Crystal structure of cytochrome P450 OleT in complex with formate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-13 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 60.170, 60.170, 241.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.210 - 1.440 |
R-factor | 0.13639 |
Rwork | 0.135 |
R-free | 0.17262 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4l40 |
RMSD bond length | 0.020 |
RMSD bond angle | 2.020 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.210 | 1.470 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.035 | 0.625 |
Number of reflections | 77736 | |
<I/σ(I)> | 25.8 | 2.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 12.8 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | Diffracting crystals were grown in 0.2 M MgCl2, 0.1 M HEPES, 20% PEG 6000, pH 7.5 |