1LGF
Crystal structure of OxyB, a Cytochrome P450 Implicated in an Oxidative Phenol Coupling Reaction During Vancomycin Biosynthesis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.700, 60.100, 90.300 |
Unit cell angles | 90.00, 122.90, 90.00 |
Refinement procedure
Resolution | 19.400 * - 2.200 |
R-factor | 0.193 |
Rwork | 0.193 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lfk |
RMSD bond length | 0.009 |
RMSD bond angle | 21.400 * |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.400 * | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.086 * | 0.341 * |
Total number of observations | 79540 * | |
Number of reflections | 22845 | |
<I/σ(I)> | 11.6 | 4 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 3.6 | 3.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | Ammonium Sulphate, K-Hepes, DTE, pottasium chloride, SP1066, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 30 (mg/ml) | |
2 | 1 | drop | 20 (mM) | ||
3 | 1 | drop | dithiothreitol | 5 (mM) | |
4 | 1 | drop | K-Hepes | 20 (mM) | pH7.5 |
5 | 1 | reservoir | ammonium sulfate | 1 (M) | |
6 | 1 | reservoir | 10 (mM) | ||
7 | 1 | reservoir | dithiothreitol | 5 (mM) | |
8 | 1 | reservoir | K-Hepes | 100 (mM) | pH7.5 |