1LG9
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 | P 21 21 21 |
| Unit cell lengths | 60.500, 73.900, 98.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 * - 2.000 |
| R-factor | 0.214 |
| Rwork | 0.214 |
| R-free | 0.26400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lfk |
| RMSD bond length | 0.019 |
| RMSD bond angle | 22.500 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.086 * | 0.313 * |
| Total number of observations | 177864 * | |
| Number of reflections | 30159 | |
| <I/σ(I)> | 12.5 | 5 |
| Completeness [%] | 98.4 | 99.2 |
| Redundancy | 5.9 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 20 * | PEG 3350, potassium chloride, K-Hepes, DTE, SP1066, 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 | PEG3350 | 9 (%) | |
| 6 | 1 | reservoir | 10 (mM) | ||
| 7 | 1 | reservoir | dithiothreitol | 5 (mM) | |
| 8 | 1 | reservoir | K-Hepes | 100 (mM) | pH7.5 |
