7KAZ
Crystal structure of OhyA(E82A)-18:1/h18:0-FAD 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 | 2019-11-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 188.022, 113.085, 118.393 |
| Unit cell angles | 90.00, 116.91, 90.00 |
Refinement procedure
| Resolution | 22.420 - 1.854 |
| R-factor | 0.1942 |
| Rwork | 0.194 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kav |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.162 |
| Data reduction software | KYLIN |
| Data scaling software | KYLIN |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.420 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.040 | 0.485 |
| Number of reflections | 183821 | 18078 |
| <I/σ(I)> | 6.4 | |
| Completeness [%] | 98.5 | 96.3 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | Crystallized: 15% v/v PEG 3000, 200 mM magnesium chloride, 100 mM sodium cacodylate, pH 6.5; Crystals soaked in 15% PEG3000, 200 mM magnesium chloride, 100 mM sodium cacodylate, pH 6.5, and 750 uM FAD. Cryo: 15% v/v PEG3000, 200 mM magnesium chloride, 100 mM sodium cacodylate, pH 6.5, 30% glycerol |
