6G2S
Crystal structure of FimH in complex with a pentaflourinated biphenyl alpha D-mannoside
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 | 2016-09-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.87287 |
Spacegroup name | P 32 |
Unit cell lengths | 86.010, 86.010, 203.140 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.005 - 2.200 |
R-factor | 0.1979 |
Rwork | 0.197 |
R-free | 0.22220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x50 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.712 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12rc1_2801: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.005 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmeas | 0.120 | 1.149 |
Number of reflections | 85263 | 10512 |
<I/σ(I)> | 14.1 | 1.5 |
Completeness [%] | 99.6 | 98.7 |
Redundancy | 6.3 | 5.4 |
CC(1/2) | 0.997 | 0.434 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M BisTrisPropane, propionic acid, cacodylate (PCPT buffer) pH 8.0, 0.1 M (NH4)2SO4 and 25 % PEG1500 |