7KAW
Crystal structure of OhyA-PEG400-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 | 2019-07-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 188.080, 112.919, 119.059 |
| Unit cell angles | 90.00, 116.97, 90.00 |
Refinement procedure
| Resolution | 22.999 - 2.105 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kav |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.817 |
| 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] | 23.000 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rpim | 0.023 | 0.135 |
| Number of reflections | 126745 | 12711 |
| <I/σ(I)> | 7.8 | 2.3 |
| Completeness [%] | 98.9 | 99.4 |
| Redundancy | 7.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | Crystallized in: 20% PEG 400, 100 mM calcium acetate, 100 mM MES, pH 6.0; Soaked in same buffer containing 750 uM FAD. Cryo: 20% PEG 400, 100 mM calcium acetate, 100 mM MES, pH 6.0, 30% glycerol |
