5MUC
Crystal structure of the FimH lectin domain in complex with 1,5-Anhydromannitol
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) | 1.872870 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.382, 68.564, 95.687 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.843 - 2.600 |
R-factor | 0.2361 |
Rwork | 0.235 |
R-free | 0.26020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cjq |
RMSD bond length | 0.003 |
RMSD bond angle | 0.705 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10pre_2131: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.843 | 2.700 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.020 | 0.790 |
Number of reflections | 12481 | 1322 |
<I/σ(I)> | 6 | 2 |
Completeness [%] | 95.0 | 96.2 |
Redundancy | 4.8 | 4.8 |
CC(1/2) | 0.990 | 0.707 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 1.6 M Ammoniumsulfat, 0.1 M Hepes 7.5, 1% PEG3350 |