9RXH
Cytochrome P450 decarboxylase from Staphylococcus aureus (OleT_Sa) with elaidic acid and acetate bound
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 | 2024-07-22 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.95374 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 137.786, 137.786, 59.214 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 53.040 - 1.830 |
| R-factor | 0.1654 |
| Rwork | 0.164 |
| R-free | 0.19415 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.427 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.040 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.240 | 0.380 |
| Number of reflections | 101189 | 4781 |
| <I/σ(I)> | 14.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 82 | |
| CC(1/2) | 0.990 | 0.410 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2.8 M sodium acetate trihydrate |
