3IPJ
The crystal structure of one domain of the PTS system, IIabc component from Clostridium difficile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.635, 34.734, 72.195 |
Unit cell angles | 90.00, 90.07, 90.00 |
Refinement procedure
Resolution | 37.635 - 1.200 |
R-factor | 0.1352 |
Rwork | 0.133 |
R-free | 0.16990 |
Structure solution method | SAD |
RMSD bond length | 0.024 |
RMSD bond angle | 1.909 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | CNS |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.635 | 1.220 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.065 | 0.304 |
Number of reflections | 52533 | |
<I/σ(I)> | 19.8 | 2.17 |
Completeness [%] | 89.5 | 45.5 |
Redundancy | 4.4 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.005M Cobalt Chloride, 0.05M Nickel Chloride, 0.05M Cadmium Chloride, 0.05M Magnesium Chloride, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |