3L3P
Crystal structure of the C-terminal domain of Shigella type III effector IpaH9.8, with a novel domain swap
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-05-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.04496 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 92.659, 92.659, 135.612 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.530 - 3.200 |
| R-factor | 0.29 |
| Rwork | 0.289 |
| R-free | 0.31100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ckd; chain A |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.848 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.460 | 3.370 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.083 | 0.530 |
| Number of reflections | 5984 | |
| <I/σ(I)> | 21.7 | 4.2 |
| Completeness [%] | 97.6 | 91.8 |
| Redundancy | 9.1 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2M sodium acetate trihydrate, 0.1M Tris pH 8.5, 30% polyethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
