6Q86
Structure of Fucosylated D-antimicrobial peptide SB4 in complex with the Fucose-binding lectin PA-IIL at 2.008 Angstrom resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-03-16 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000030 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 55.600, 55.600, 150.621 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.151 - 2.008 |
R-factor | 0.163 |
Rwork | 0.157 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oxc |
RMSD bond length | 0.014 |
RMSD bond angle | 0.835 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.151 | 48.151 | 2.120 |
High resolution limit [Å] | 2.008 | 6.350 | 2.010 |
Rmerge | 0.013 | 0.350 | |
Rmeas | 0.031 | 0.014 | 0.393 |
Rpim | 0.014 | 0.007 | 0.176 |
Total number of observations | 90867 | 3177 | 12761 |
Number of reflections | 18746 | 695 | 2647 |
<I/σ(I)> | 30.1 | 84.1 | 4.4 |
Completeness [%] | 99.8 | 99.6 | 99.7 |
Redundancy | 4.8 | 4.6 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 2.5 M Ammonium nitrate, 0.1 M BIS-TRIS propane pH 7.0 |