3CKD
Crystal structure of the C-terminal domain of the Shigella type III effector IpaH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97845 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 128.928, 128.928, 282.825 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.210 - 2.650 |
R-factor | 0.2309 |
Rwork | 0.228 |
R-free | 0.28382 |
Structure solution method | SAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.586 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHARP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.073 | 0.479 |
Number of reflections | 34738 | |
<I/σ(I)> | 35.3 | 3.8 |
Completeness [%] | 99.0 | 99.5 |
Redundancy | 8.2 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2M Ammonium sulfate, 1% PEG MME 2000, VAPOR DIFFUSION, SITTING DROP, temperature 298K |