2X9P
X-ray structure of the substrate-free 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 | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.603, 139.380, 70.041 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 90.170 - 2.100 |
| R-factor | 0.1884 |
| Rwork | 0.186 |
| R-free | 0.23897 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zbz |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.974 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 16.980 | 2.210 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.090 | 0.570 |
| Number of reflections | 34176 | |
| <I/σ(I)> | 12.3 | 2.9 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 5.9 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 296 | 1.75 M AMMONIUM SULFATE, 2% PEG400, 0.1 M TRIS-HCL, PH 8.5; T=23 C |
