9IQI
Structure of oleate hydratase mutant - V135A/L212V from Staphylococcus aureus in the complex with FAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2024-01-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 188.476, 109.809, 118.322 |
| Unit cell angles | 90.00, 116.61, 90.00 |
Refinement procedure
| Resolution | 39.530 - 2.440 |
| R-factor | 0.2031 |
| Rwork | 0.201 |
| R-free | 0.23460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kaw |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.516 |
| Data reduction software | HKL-3000 (v721) |
| Data scaling software | HKL-3000 (v721) |
| Phasing software | PHENIX (1.20.1_4487) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.530 | 2.520 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.166 | 0.453 |
| Rmeas | 0.183 | |
| Number of reflections | 79192 | 7610 |
| <I/σ(I)> | 12.77 | 2.72 |
| Completeness [%] | 98.0 | 94.65 |
| Redundancy | 5.8 | 6 |
| CC(1/2) | 0.976 | 0.942 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | 0.2 M Ammooium citrate tribasic pH 7.0, 15 % w/v Polyethylene glycol 3350 |
