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 |