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 |