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 |
