6Q85
Structure of Fucosylated D-antimicrobial peptide SB11 in complex with the Fucose-binding lectin PA-IIL at 1.990 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 65 2 2 |
Unit cell lengths | 132.785, 132.785, 190.554 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.897 - 1.990 |
R-factor | 0.1753 |
Rwork | 0.173 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oxc |
RMSD bond length | 0.006 |
RMSD bond angle | 0.755 |
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] | 45.897 | 45.897 | 2.100 |
High resolution limit [Å] | 1.990 | 6.290 | 1.990 |
Rmerge | 0.034 | 2.015 | |
Rmeas | 0.150 | 0.036 | 2.127 |
Rpim | 0.048 | 0.012 | 0.675 |
Total number of observations | 667381 | 23363 | 94790 |
Number of reflections | 68307 | 2435 | 9696 |
<I/σ(I)> | 10 | 36.2 | 1.2 |
Completeness [%] | 99.8 | 99.8 | 98.8 |
Redundancy | 9.8 | 9.6 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% v/v (+/-)-2-Methyl-2,4-pentanediol |