6S5P
Cfucosylated peptide SBL2 bound to Fucose binding Lectin LecB (PA-IIL) from Pseudomonas aeruginosa at 1.46 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 | 2018-07-05 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000033 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 123.099, 56.264, 70.498 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.365 - 1.460 |
R-factor | 0.1775 |
Rwork | 0.177 |
R-free | 0.19440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oxc |
RMSD bond length | 0.014 |
RMSD bond angle | 0.914 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.1) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.365 | 1.467 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmeas | 0.168 | 1.801 |
Number of reflections | 164044 | 26246 |
<I/σ(I)> | 9.95 | 1.04 |
Completeness [%] | 99.7 | 98.7 |
Redundancy | 6.7 | 6.4 |
CC(1/2) | 0.998 | 0.529 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 M Ammonium phosphate monobasic, 0.1 M Tris pH 8.5, 50% v/v (+/-)-2-Methyl-2,4-pentanediol |