6E0U
Staphylococcus pseudintermedius exfoliative toxin EXI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.230, 82.130, 99.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.355 - 2.750 |
R-factor | 0.2864 |
Rwork | 0.284 |
R-free | 0.32560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qtf |
RMSD bond length | 0.003 |
RMSD bond angle | 0.854 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 63.355 | 63.355 | 2.820 |
High resolution limit [Å] | 2.750 | 12.300 | 2.750 |
Rmerge | 0.084 | 0.060 | 0.296 |
Rmeas | 0.093 | 0.066 | 0.347 |
Total number of observations | 86124 | ||
Number of reflections | 14511 | 197 | 1004 |
<I/σ(I)> | 12.38 | 23.13 | 2.32 |
Completeness [%] | 99.0 | 97.5 | 95.7 |
Redundancy | 5.935 | 5.152 | 3.548 |
CC(1/2) | 0.996 | 0.996 | 0.956 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 200 mM ammonium sulfate, 100 mM Tris, pH 8.5, 25% PEG3350 |