2QZJ
Crystal structure of a two-component response regulator from Clostridium difficile
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97950 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 75.044, 75.044, 314.252 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.180 - 2.890 |
R-factor | 0.219 |
Rwork | 0.219 |
R-free | 0.28500 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELX |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.990 |
High resolution limit [Å] | 2.890 | 2.890 |
Rmerge | 0.069 | 0.153 |
Number of reflections | 21182 | |
<I/σ(I)> | 22.8 | 5 |
Completeness [%] | 99.6 | 98.5 |
Redundancy | 17.7 | 13.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Bis-Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |