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 |