9BSM
Staphylococcus aureus exfoliative toxin A D164E 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 | 45.380, 66.392, 48.295 |
| Unit cell angles | 90.00, 116.97, 90.00 |
Refinement procedure
| Resolution | 40.440 - 1.480 |
| R-factor | 0.1951 |
| Rwork | 0.194 |
| R-free | 0.22050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.873 |
| 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] | 43.080 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.083 | 0.765 |
| Rmeas | 0.091 | 0.842 |
| Rpim | 0.035 | 0.346 |
| Number of reflections | 42293 | 2063 |
| <I/σ(I)> | 14.5 | 1.2 |
| Completeness [%] | 99.0 | 97.4 |
| Redundancy | 6.2 | 5.8 |
| CC(1/2) | 0.998 | 0.636 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 50mM sodium phosphate, pH 7.0, 22.5% PEG 4000, 2:2 uL protein:mother liquor, protein concentration 15 mg/mL |
