7BHD
FimH in complex with alpha1,6 core-fucosylated oligomannose-3, crystallized in the trigonal space group
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.987 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 91.210, 91.210, 79.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 78.990 - 1.400 |
R-factor | 0.1716 |
Rwork | 0.171 |
R-free | 0.19790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vco |
RMSD bond length | 0.024 |
RMSD bond angle | 2.045 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.990 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.075 | 4.192 |
Rmeas | 0.077 | 4.331 |
Number of reflections | 75457 | 11867 |
<I/σ(I)> | 17.01 | 0.42 |
Completeness [%] | 99.5 | 97.9 |
Redundancy | 19.15 | 15.57 |
CC(1/2) | 1.000 | 0.184 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 291 | 1,1M Lithium sulfate, 0,1M Tris-HCl pH=9, 0,01M Nickel Chloride |