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 |
