5FYG
Structure of CYP153A from Marinobacter aquaeolei in complex with hydroxydodecanoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 120 |
| Detector technology | PIXEL |
| Collection date | 2015-01-30 |
| Detector | PILATUS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.020, 71.310, 213.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.890 - 2.220 |
| R-factor | 0.18977 |
| Rwork | 0.187 |
| R-free | 0.23937 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rwl |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.800 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.890 | 2.290 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.140 | 0.630 |
| Number of reflections | 47442 | |
| <I/σ(I)> | 10 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.6 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.1 M BIS-TRIS PROPANE PH 5.5; 25% PEG 3350 (W/V); 30 MG PER ML PROTEIN; SOAK WITH 10 MM HYDROXYDODECANOIC ACID |
