5KH1
Shigella flexneri Effector IpaH1880
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-20 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.316, 80.058, 298.346 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.011 - 3.400 |
| R-factor | 0.2423 |
| Rwork | 0.239 |
| R-free | 0.30460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cvr |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.711 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.460 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.084 | 0.533 |
| Number of reflections | 9062 | |
| <I/σ(I)> | 25.3 | |
| Completeness [%] | 92.9 | 86.5 |
| Redundancy | 5.2 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.1%(w/v) Tacsimate pH6.0 100mM Bis-Tris/HCl pH6.5 16% PEG3350 |
