5L4W
Crystal structure of FimH lectin domain in complex with 3-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 1 21 1 |
| Unit cell lengths | 44.830, 95.340, 70.800 |
| Unit cell angles | 90.00, 105.64, 90.00 |
Refinement procedure
| Resolution | 68.180 - 1.900 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.20160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xo8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| 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] | 68.180 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.101 | 0.757 |
| Number of reflections | 40710 | |
| <I/σ(I)> | 13.8 | 2.2 |
| Completeness [%] | 90.1 | 71.2 |
| Redundancy | 3.5 | 3.3 |
| CC(1/2) | 0.997 |
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 |
