9J9A
Staphylococcus aureus exfoliative toxin D
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 62 |
| Unit cell lengths | 122.597, 122.597, 60.514 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.060 - 1.750 |
| R-factor | 0.16241 |
| Rwork | 0.162 |
| R-free | 0.17962 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AF-Q8GAX8-F1 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.139 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.060 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.043 | 0.782 |
| Rpim | 0.014 | 0.253 |
| Number of reflections | 52340 | 2858 |
| <I/σ(I)> | 35.6 | 2.9 |
| Completeness [%] | 99.8 | |
| Redundancy | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | ammonium sulfate, sodium acetate |
