5DYZ
Crystal structure of Asp251Gly/Gln307His mutant of cytochrome P450 BM3 in complex with N-palmitoylglycine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.213, 115.708, 143.278 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.538 - 1.967 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jpz |
RMSD bond length | 0.010 |
RMSD bond angle | 1.309 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.540 | 46.540 | 2.010 |
High resolution limit [Å] | 1.967 | 9.640 | 1.967 |
Rmerge | 0.093 | 0.039 | 0.864 |
Rpim | 0.039 | 0.017 | 0.376 |
Total number of observations | 474709 | 4112 | 25457 |
Number of reflections | 72820 | ||
<I/σ(I)> | 12 | 33.4 | 2.1 |
Completeness [%] | 99.6 | 99 | 94.7 |
Redundancy | 6.5 | 5.7 | 6 |
CC(1/2) | 0.998 | 0.997 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 14% PEG 3350, 100 mM cacodylic acid pH 5.5-6.8, 100-160 mM MgCl2 |