6MAW
F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[S-methyl-6-(trifluoromethyl)-[1,1'-biphenyl]-3'-yl]oxy}oxan-3-yl]acetamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-03-29 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 39.445, 110.212, 90.195 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.138 - 1.750 |
R-factor | 0.1616 |
Rwork | 0.161 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6aow |
RMSD bond length | 0.007 |
RMSD bond angle | 1.138 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.100 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.092 | 0.398 |
Rmeas | 0.099 | 0.429 |
Number of reflections | 20289 | 2088 |
<I/σ(I)> | 17.65 | 5.07 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.1 | 7.3 |
CC(1/2) | 0.998 | 0.941 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 0.7 M LiSO4, 20% PEG 8000, 10% DMSO |