2QYU
Crystal structure of Salmonella effector protein SopA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.07223 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 79.720, 79.720, 212.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.20644 |
Rwork | 0.204 |
R-free | 0.24916 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SeMet substituted SopA structure model |
RMSD bond length | 0.008 |
RMSD bond angle | 1.191 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 37593 | |
<I/σ(I)> | 14.8 | 2.8 |
Completeness [%] | 98.6 | 98.3 |
Redundancy | 12.7 | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2M sodium potassium phosphate, 0.1M bis-Tris propane (pH6.5), 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |