6GTW
Crystal structure of the FimH lectin domain from E.coli F18 in complex with trimannose
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 | 2013-07-13 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.362460 |
Spacegroup name | H 3 |
Unit cell lengths | 175.180, 175.180, 124.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 64.801 - 2.500 |
R-factor | 0.1929 |
Rwork | 0.192 |
R-free | 0.21640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xoc |
RMSD bond length | 0.005 |
RMSD bond angle | 0.900 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.801 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmeas | 0.248 | 2.033 |
Number of reflections | 49294 | 7890 |
<I/σ(I)> | 10.3 | 1.6 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 10.1 | 9.8 |
CC(1/2) | 0.994 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M CaCl2, 0.1 M Hepes-NaOH pH 7.0, 25% PEG 3350 |