4XOC
Crystal structure of the FimH lectin domain from E.coli F18 in complex with 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 | 2013-07-13 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.36246 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 140.070, 176.056, 28.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.806 - 1.420 |
| R-factor | 0.1496 |
| Rwork | 0.148 |
| R-free | 0.17450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mcy |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.615 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.806 | 1.510 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.117 | 1.118 |
| Number of reflections | 66393 | |
| <I/σ(I)> | 18 | 2.3 |
| Completeness [%] | 98.9 | 95.4 |
| Redundancy | 16.9 | 13.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 17 % PEG2000MME, 0.1M Hepes pH 7.5 |
