1LFK
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 | 100.400, 60.400, 90.300 |
Unit cell angles | 90.00, 122.70, 90.00 |
Refinement procedure
Resolution | 28.800 - 1.700 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.23500 |
Structure solution method | MIR |
RMSD bond length | 0.016 |
RMSD bond angle | 22.200 * |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.800 | 1.800 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.066 * | 0.255 * |
Total number of observations | 166149 * | |
Number of reflections | 49572 | |
<I/σ(I)> | 15.6 | 5 |
Completeness [%] | 98.7 * | 99.7 * |
Redundancy | 3.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | Ammonium Sulphate, K-Hepes, DTE, pottasium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
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 |