5L4V
Crystal structure of FimH lectin domain in complex with 3-Deoxy-Heptylmannoside
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 | 2015-06-12 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.00004 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.940, 95.340, 70.730 |
Unit cell angles | 90.00, 105.02, 90.00 |
Refinement procedure
Resolution | 47.670 - 2.990 |
R-factor | 0.2484 |
Rwork | 0.248 |
R-free | 0.25220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xo8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.070 |
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] | 47.670 | 3.170 |
High resolution limit [Å] | 2.990 | 2.990 |
Rmerge | 0.301 | 1.130 |
Number of reflections | 11564 | |
<I/σ(I)> | 4.5 | 1.3 |
Completeness [%] | 98.6 | 93.9 |
Redundancy | 4.4 | 4.2 |
CC(1/2) | 0.860 |
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 |