4XOB
Crystal structure of a FimH*DsF complex from E.coli K12 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 | 2013-06-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.99998 |
Spacegroup name | I 21 21 21 |
Unit cell lengths | 94.469, 147.128, 250.796 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.131 - 3.003 |
R-factor | 0.2275 |
Rwork | 0.227 |
R-free | 0.24540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mcy 1qun |
RMSD bond length | 0.004 |
RMSD bond angle | 0.999 |
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] | 48.131 | 3.180 |
High resolution limit [Å] | 3.003 | 3.003 |
Rmerge | 0.425 | 2.073 |
Number of reflections | 35265 | |
<I/σ(I)> | 14.3 | 1.5 |
Completeness [%] | 99.8 | 97.4 |
Redundancy | 6.6 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 30 % w/v PEG 5,000, 0.1 M MES monohydrate, 0.2 M Ammonium sulfate pH 6.5. 2.5fold excess ligand to protein |