4XOE
Crystal structure of a FimH*DsG complex from E.coli F18 with bound heptyl alpha-D-mannopyrannoside
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-28 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.97928 |
Spacegroup name | P 21 3 |
Unit cell lengths | 128.360, 128.360, 128.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.404 - 2.400 |
R-factor | 0.1522 |
Rwork | 0.151 |
R-free | 0.17880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mcy 1qun |
RMSD bond length | 0.004 |
RMSD bond angle | 0.882 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: dev_1779)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.404 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.207 | 2.024 |
Number of reflections | 27814 | |
<I/σ(I)> | 18.3 | 1.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 20 | 20 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 30 % (v/v) 2-Methyl-2,4-pentanediol (MPD), 0.1 M sodium cacodylate, 0.2 M magnesium acetate pH 6.5 |