7QUO
FimH lectin domain in complex with oligomannose-6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97630 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 153.110, 153.110, 230.410 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 114.925 - 3.000 |
Rwork | 0.236 |
R-free | 0.27560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5fx3 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 230.410 | 3.080 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.680 | 4.970 |
Rmeas | 0.670 | 5.250 |
Number of reflections | 59950 | 25825 |
<I/σ(I)> | 3.13 | 0.4 |
Completeness [%] | 99.8 | 99.78 |
Redundancy | 5.93 | 5.82 |
CC(1/2) | 0.902 | 0.060 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 1 M Lithium Sulfate 100 mM Tris-HCl, pH 8.5 10 mM Nickel Chloride 3% glycerol |