2UWH
Cytochrome P450 BM3 mutant in complex with palmitic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 116.827, 147.030, 183.402 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 114.710 - 2.800 |
| R-factor | 0.219 |
| Rwork | 0.215 |
| R-free | 0.29900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jpz |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.383 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.500 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.180 | 0.640 |
| Number of reflections | 76791 | |
| <I/σ(I)> | 10.6 | 2.5 |
| Completeness [%] | 98.0 | 93.7 |
| Redundancy | 5.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 140 MM MGCL2, 25% POLYETHYLENE GLYCOL 2000MME AND 100 MM MESA, PH 5.0 |
