8GK3
Cytochrome P450 3A7 in complex with Dehydroepiandrosterone sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 114.516, 219.381, 130.447 |
Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
Resolution | 39.940 - 2.600 |
R-factor | 0.2105 |
Rwork | 0.210 |
R-free | 0.27310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.261 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER (1.18.2_3874) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.940 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.115 | |
Rpim | 0.046 | 0.878 |
Number of reflections | 190994 | 27624 |
<I/σ(I)> | 10.3 | |
Completeness [%] | 99.1 | |
Redundancy | 7 | |
CC(1/2) | 0.999 | 0.473 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 298 | 20% (w/v) PEG 3350, 0.2 M Lithium acetate dihydrate, pH 7.9 |