2XBK
X-ray structure of the substrate-bound cytochrome P450 PimD - a polyene macrolide antibiotic pimaricin epoxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-07-15 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.920, 99.690, 58.505 |
| Unit cell angles | 90.00, 111.92, 90.00 |
Refinement procedure
| Resolution | 67.880 - 1.950 |
| R-factor | 0.15286 |
| Rwork | 0.150 |
| R-free | 0.21396 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x9p |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.985 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.010 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.070 | 0.520 |
| Number of reflections | 38650 | |
| <I/σ(I)> | 10 | 2.3 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 296 | 0.2 M SODIUM MALONATE, PH 7.0; 20% PEG 3330, T=23 C |
