21LA
Olep, Cytochrome P450 epoxidase involved in the biosynthesis of murideoxycholic acid (MDCA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.597, 61.205, 99.074 |
| Unit cell angles | 90.00, 117.70, 90.00 |
Refinement procedure
| Resolution | 36.860 - 1.980 |
| R-factor | 0.1951 |
| Rwork | 0.193 |
| R-free | 0.23270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.821 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.720 | 2.030 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.064 | 0.802 |
| Rmeas | 0.076 | 0.956 |
| Rpim | 0.041 | 0.515 |
| Number of reflections | 68059 | 4531 |
| <I/σ(I)> | 17.7 | 2.2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | |
| CC(1/2) | 0.999 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 300 | 40 mM Potassium phosphate monobasic, 16% Glycerol, 20% PEG 8000 |
