6Q6X
Structure of Fucosylated D-antimicrobial peptide SB6 in complex with the Fucose-binding lectin PA-IIL at 1.525 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 | 2016-06-30 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000030 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.474, 59.416, 72.060 |
Unit cell angles | 90.00, 106.12, 90.00 |
Refinement procedure
Resolution | 47.509 - 1.525 |
R-factor | 0.1594 |
Rwork | 0.158 |
R-free | 0.18200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.846 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.509 | 47.509 | 1.610 |
High resolution limit [Å] | 1.525 | 4.820 | 1.530 |
Rmerge | 0.026 | 0.435 | |
Rmeas | 0.081 | 0.032 | 0.541 |
Rpim | 0.046 | 0.018 | 0.317 |
Total number of observations | 175314 | 6389 | 20952 |
Number of reflections | 62803 | 2071 | 8132 |
<I/σ(I)> | 13.9 | 38.1 | 3.2 |
Completeness [%] | 96.8 | 97 | 86.4 |
Redundancy | 2.8 | 3.1 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 M HEPES sodium pH 7.5, 2% v/v Polyethylene glycol 400, 2.0 M Ammonium sulfate |