8AE8
Crystal structure of a staphylococcal orthologue of CYP134A1 (CYPX) in complex with a heme-coordinated fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-15 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 80.889, 107.841, 105.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.190 - 1.920 |
R-factor | 0.1941 |
Rwork | 0.192 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7pq1 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.903 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.190 | 1.970 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.094 | 1.661 |
Rpim | 0.027 | 0.472 |
Number of reflections | 35640 | 2358 |
<I/σ(I)> | 13.1 | 1.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 13.3 |
CC(1/2) | 0.999 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.05M Magnesium chloride hexahydrate, 0.05M sodium citrate tribasic, 0.1M Bis-tris propane pH 7.8, 22.5% v/v PEG smear high. |