9IQJ
Structure of oleate hydratase mutant L151V from Staphylococcus aureus in the complex with linoleic acid
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 | 189.355, 114.114, 119.113 |
| Unit cell angles | 90.00, 117.04, 90.00 |
Refinement procedure
| Resolution | 37.820 - 1.640 |
| R-factor | 0.1564 |
| Rwork | 0.156 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kaw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.930 |
| 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] | 37.820 | 1.690 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.111 | 0.417 |
| Rmeas | 0.120 | 0.451 |
| Number of reflections | 274186 | 26636 |
| <I/σ(I)> | 3.66 | 3.66 |
| Completeness [%] | 99.3 | 96.94 |
| Redundancy | 6.8 | 6.8 |
| CC(1/2) | 0.993 | 0.949 |
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 |
