5L4U
Crystal structure of FimH lectin domain in complex with 2-Fluoro-Heptylmannoside
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-04-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00001 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.550, 68.300, 96.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.650 - 2.100 |
| R-factor | 0.2055 |
| Rwork | 0.204 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xo8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.650 | 2.330 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.075 | 0.614 |
| Number of reflections | 24925 | |
| <I/σ(I)> | 8.9 | 2.2 |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 6.4 | 6.4 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 285 | 0.2 M (NH4)2SO4, 0.1 M Hepes pH 7 and 25-30% PEG3350 |
