5CQ9
Crystal structure of SopD2, a type III secreted virulence effector from Salmonella enterica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-08-10 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.613, 89.800, 75.595 |
Unit cell angles | 90.00, 117.15, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.000 |
R-factor | 0.239 |
Rwork | 0.235 |
R-free | 0.30900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cpc |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.110 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.059 | 0.739 |
Number of reflections | 16873 | |
<I/σ(I)> | 12.8 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 9.5 | 295 | 0.1M CHES pH 9.5, 20% PEG 8000 |