6S5R
Cfucosylated second generation peptide dendrimer SBD6 bound to Fucose binding Lectin LecB (PA-IIL) from Pseudomonas aeruginosa at 2.08 Angstrom resolution, incomplete structure
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 | 2017-09-23 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.000033 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 91.003, 91.003, 315.583 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.036 - 2.076 |
R-factor | 0.2067 |
Rwork | 0.205 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oxc |
RMSD bond length | 0.013 |
RMSD bond angle | 1.161 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.036 | 2.086 |
High resolution limit [Å] | 2.076 | 2.076 |
Rmeas | 0.200 | 2.080 |
Number of reflections | 88116 | 13946 |
<I/σ(I)> | 7.17 | 0.76 |
Completeness [%] | 99.6 | 98.2 |
Redundancy | 5.2 | 4.8 |
CC(1/2) | 0.998 | 0.217 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | 0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 2.0 M Ammonium sulfate |