8VFP
The crystal structure of GALQE CYP199A4 bound to 4-methylbenzoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2023-03-08 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95372 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.386, 51.495, 78.639 |
Unit cell angles | 90.00, 93.19, 90.00 |
Refinement procedure
Resolution | 43.060 - 2.700 |
R-factor | 0.2229 |
Rwork | 0.220 |
R-free | 0.27690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.631 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.060 | 2.830 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.324 | 1.323 |
Rmeas | 0.350 | 1.426 |
Rpim | 0.131 | 0.528 |
Total number of observations | 66928 | 9138 |
Number of reflections | 9702 | 1290 |
<I/σ(I)> | 6.2 | 1.6 |
Completeness [%] | 98.0 | |
Redundancy | 6.9 | 7.1 |
CC(1/2) | 0.979 | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 289.15 | The crystallization buffer was 100 mM Bis-Tris buffer (adjusted to pH 5.0-5.75 with acetic acid), 0.2 M magnesium acetate and 20-32% PEG 3350 |