3HO6
Structure-function analysis of inositol hexakisphosphate-induced autoprocessing in clostridium difficile toxin A
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 | 2008-11-01 |
Wavelength(s) | 0.9784 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 141.312, 43.500, 94.692 |
Unit cell angles | 90.00, 112.88, 90.00 |
Refinement procedure
Resolution | 31.502 - 1.600 |
R-factor | 0.1668 |
Rwork | 0.165 |
R-free | 0.19820 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.234 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.049 | 0.344 |
Number of reflections | 68137 | |
<I/σ(I)> | 23.5 | 2.4 |
Completeness [%] | 96.2 | 81.9 |
Redundancy | 4.8 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 100 mM Tris, 25-30 % PEG 8000, and 200 mM guanadinium chloride, pH 8-9, VAPOR DIFFUSION, HANGING DROP, temperature 294K |