7KAY
Crystal structure of OhyA(E82A)-18:1 complex from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-06 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 189.044, 113.534, 119.283 |
| Unit cell angles | 90.00, 117.04, 90.00 |
Refinement procedure
| Resolution | 22.460 - 1.950 |
| R-factor | 0.1592 |
| Rwork | 0.159 |
| R-free | 0.18630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kav |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.794 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.459 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rpim | 0.041 | 0.399 |
| Number of reflections | 150514 | 10700 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 97.7 | 97.1 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | Crystallized: 15% PEG 3000, 200 mM magnesium chloride, 100 mM sodium cacodylate, pH 6.5. Cryo: 15% PEG 3000, 200 mM magnesium chloride, 100 mM sodium cacodylate, pH 6.5, 30% glycerol |
