6MAP
F9 Pilus Adhesin FmlH Lectin Domain from E. coli UTI89 in Complex with Galactoside 5-nitro-2'-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-[1,1'-biphenyl]-3-carboxylic acid
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 | 2018-06-07 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.118, 57.118, 121.292 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.320 - 1.080 |
R-factor | 0.2007 |
Rwork | 0.200 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6aow |
RMSD bond length | 0.006 |
RMSD bond angle | 1.298 |
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] | 38.320 | 1.440 |
High resolution limit [Å] | 1.390 | 1.390 |
Rmerge | 0.088 | 0.526 |
Rmeas | 0.192 | 0.545 |
Number of reflections | 41077 | 4031 |
<I/σ(I)> | 23.2 | 5.18 |
Completeness [%] | 99.9 | 100 |
Redundancy | 14.2 | 14.2 |
CC(1/2) | 0.999 | 0.950 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | 0.1 M Tris 8.0, 0.8 M AmSO4, 10% DSMO |