6Q6W
Structure of Fucosylated D-antimicrobial peptide SB5 in complex with the Fucose-binding lectin PA-IIL at 1.438 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 | 2016-08-18 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.036790 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 56.977, 56.977, 173.543 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.462 - 1.438 |
R-factor | 0.1713 |
Rwork | 0.170 |
R-free | 0.19670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oxc |
RMSD bond length | 0.003 |
RMSD bond angle | 0.752 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.462 | 47.462 | 1.520 |
High resolution limit [Å] | 1.438 | 4.550 | 1.440 |
Rmerge | 0.026 | 1.335 | |
Rmeas | 0.062 | 0.028 | 1.419 |
Rpim | 0.020 | 0.009 | 0.476 |
Total number of observations | 286261 | ||
Number of reflections | 31196 | 1197 | 4226 |
<I/σ(I)> | 17.4 | 21.3 | 0.6 |
Completeness [%] | 99.2 | 99.9 | 94.9 |
Redundancy | 9.2 | 8.4 | 8.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 1.5 M Ammonium sulfate, 0.1 M Tris pH 8.5, 12% v/v Glycerol |