1UED
Crystal Structure of OxyC a Cytochrome P450 Implicated in an Oxidative C-C 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 1 21 1 |
| Unit cell lengths | 41.063, 99.270, 105.081 |
| Unit cell angles | 90.00, 96.11, 90.00 |
Refinement procedure
| Resolution | 28.800 * - 1.900 |
| R-factor | 0.196 |
| Rwork | 0.196 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lfk |
| RMSD bond length | 0.014 |
| RMSD bond angle | 21.400 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.800 | 2.020 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.090 * | 0.318 * |
| Total number of observations | 234465 * | |
| Number of reflections | 65815 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.56 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 20 * | PEG 500MME, di-ammonium tartrate, DTE, K-Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | 20 (mM) | ||
| 3 | 1 | drop | dithioerythritol | 5 (mM) | |
| 4 | 1 | drop | potassium HEPES | 20 (mM) | pH7.0 |
| 5 | 1 | reservoir | di-ammonium tartrate | 0.1 (M) | |
| 6 | 1 | reservoir | dithioerythritol | 5 (mM) | |
| 7 | 1 | reservoir | potassium HEPES | 100 (mM) | pH7.5 |
| 8 | 1 | reservoir | PEG550 MME | 12 (%) |
