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 |