5JQV
Crystal structure of Cytochrome P450 BM3 heme domain T269V/L272W/L322I/A406S (WIVS) variant with iron(III) deuteroporphyrin IX bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.708, 167.405, 228.471 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.970 - 2.340 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.28400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jqu |
RMSD bond length | 0.009 |
RMSD bond angle | 1.149 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.970 | 2.380 |
High resolution limit [Å] | 2.336 | 2.340 |
Rmerge | 0.162 | 0.462 |
Number of reflections | 173212 | |
<I/σ(I)> | 9 | 4.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.5 | 11.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 298 | 0.25 M MgCl2, 17% PEG3350 |