9BSH
Staphylococcus aureus exfoliative toxin A D164A variant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-08-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.18069 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.551, 66.543, 81.810 |
| Unit cell angles | 90.00, 94.17, 90.00 |
Refinement procedure
| Resolution | 51.570 - 1.350 |
| R-factor | 0.2003 |
| Rwork | 0.199 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.958 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.620 | 1.370 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.080 | 0.344 |
| Rmeas | 0.088 | 0.381 |
| Rpim | 0.037 | 0.160 |
| Number of reflections | 109787 | 5330 |
| <I/σ(I)> | 21.8 | 6.5 |
| Completeness [%] | 96.4 | 95.3 |
| Redundancy | 6.2 | 5.8 |
| CC(1/2) | 0.996 | 0.675 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M magnesium formate, 17.5% PEG 3350 (MCSG1 G10), 2:2 uL protein:mother liquor with a protein concentration of 17.5 mg/mL |
