5DU2
Structural analysis of EspG2 glycosyltransferase
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 | 2014-10-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 51.331, 178.381, 189.598 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.790 - 2.700 |
| R-factor | 0.2017 |
| Rwork | 0.200 |
| R-free | 0.23590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3iaa |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.890 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MR-Rosetta |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.088 | 1.000 |
| Number of reflections | 24500 | |
| <I/σ(I)> | 18.06 | 1.81 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 5.4 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M MgCl2, 0.1 M Tris/HCl, pH 8.5, 25% PEG3350, cryo 10% glycerol |
