6Q77
Structure of Fucosylated D-antimicrobial peptide SB12 in complex with the Fucose-binding lectin PA-IIL at 2.002 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 | 2016-08-20 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.036790 |
Spacegroup name | P 42 2 2 |
Unit cell lengths | 51.518, 51.518, 97.905 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.952 - 2.002 |
R-factor | 0.2206 |
Rwork | 0.218 |
R-free | 0.26720 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 0.937 |
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] | 48.952 | 48.952 | 2.110 |
High resolution limit [Å] | 2.002 | 6.330 | 2.000 |
Rmerge | 0.018 | 0.808 | |
Rmeas | 0.054 | 0.020 | 0.878 |
Rpim | 0.021 | 0.008 | 0.337 |
Total number of observations | 59614 | 1997 | 8731 |
Number of reflections | 9462 | 368 | 1323 |
<I/σ(I)> | 19.1 | 68.6 | 2.2 |
Completeness [%] | 99.9 | 99.2 | 99.8 |
Redundancy | 6.3 | 5.4 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.2 M Sodium acetate trihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v Polyethylene glycol 8,000 |