5CPC
Crystal structure of SopD, a type III secreted virulence effector from Salmonella enterica
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.525, 102.743, 76.018 |
| Unit cell angles | 90.00, 105.53, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| R-factor | 0.2138 |
| Rwork | 0.212 |
| R-free | 0.24340 |
| Structure solution method | SAD |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.969 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 4.630 | 2.150 |
| Rmerge | 0.064 | 0.045 | 0.521 |
| Total number of observations | 280209 | ||
| Number of reflections | 37360 | ||
| <I/σ(I)> | 17.4 | ||
| Completeness [%] | 99.0 | 90.7 | 100 |
| Redundancy | 7.5 | 7.2 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7 | 295 | 0.1M HEPES pH 7, 20% PEG 6000 |
