3CWX
Crystal structure of cagd from helicobacter pylori pathogenicity island
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97942, 0.97420, 0.97814 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.181, 117.956, 65.157 |
Unit cell angles | 90.00, 110.26, 90.00 |
Refinement procedure
Resolution | 62.260 - 2.300 |
R-factor | 0.242 |
R-free | 0.28800 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 0.019 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.260 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.088 | 0.411 |
Number of reflections | 28577 | |
<I/σ(I)> | 16.6 | 4.1 |
Completeness [%] | 99.2 | 99.9 |
Redundancy | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 0.2 M MgGl2, 0.1M Hepes, 20% PEG 6000, pH 7, VAPOR DIFFUSION, temperature 298K |