6A8J
Crystal structure of bacterial protein toxins
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9796 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 177.686, 197.928, 163.293 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.706 - 2.711 |
R-factor | 0.2283 |
Rwork | 0.226 |
R-free | 0.26540 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.507 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.710 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 135922 | |
<I/σ(I)> | 17.27 | |
Completeness [%] | 94.5 | |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 1.4 M ammonium sulfate, 0.1 M Tris-HCl (pH 8.0), 12% glycerol |