8VFR
The crystal structure of 4-methylbenzoic acid-bound GALQE CYP199A4 after soaking in 10 mM H2O2 for 5 minutes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95367 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.213, 51.268, 78.417 |
| Unit cell angles | 90.00, 92.94, 90.00 |
Refinement procedure
| Resolution | 42.894 - 2.018 |
| R-factor | 0.1967 |
| Rwork | 0.194 |
| R-free | 0.23860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.569 |
| 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] | 44.150 | 2.070 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.244 | 1.624 |
| Rmeas | 0.264 | 1.774 |
| Rpim | 0.100 | 0.703 |
| Total number of observations | 159873 | 9579 |
| Number of reflections | 23259 | 1562 |
| <I/σ(I)> | 5.4 | 0.9 |
| Completeness [%] | 99.3 | |
| Redundancy | 6.9 | 6.1 |
| CC(1/2) | 0.992 | 0.553 |
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 |
