3CWY
Structure of CagD from H. pylori pathogenicity island crystallized in the presence of Cu(II) ions
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-08-31 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97621 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 65.030, 65.030, 156.160 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.340 - 2.750 |
| R-factor | 0.262 |
| Rwork | 0.261 |
| R-free | 0.30700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cwx |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.590 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 78.090 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.079 | 0.459 |
| Number of reflections | 5757 | |
| <I/σ(I)> | 7.5 | 1.7 |
| Completeness [%] | 99.9 | 99 |
| Redundancy | 10.3 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 0.2 M MgCl2, 0.1 M Hepes pH 7, 20% PEG 6000, CuCl2 0.02M , VAPOR DIFFUSION, temperature 298K |
