3HNQ
Crystal Structure of Virulence protein STM3117 from Salmonella typhimurium. Northeast Structural Genomics Consortium target id StR274
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.950, 134.623, 51.356 |
Unit cell angles | 90.00, 112.71, 90.00 |
Refinement procedure
Resolution | 47.370 - 2.100 |
R-factor | 0.215 |
Rwork | 0.215 |
R-free | 0.25100 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.170 |
High resolution limit [Å] | 2.000 | 2.100 |
Rmerge | 0.086 | 0.430 |
Number of reflections | 62170 | |
Completeness [%] | 92.7 | 74 |
Redundancy | 3.1 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 15% PEG 1000, 100mM Na3Citrate, 100mm K2HPo4, 20% Glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |