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 |
