6Q8D
Structure of Fucosylated D-antimicrobial peptide SB15 in complex with the Fucose-binding lectin PA-IIL at 1.630 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 | 2016-08-19 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.036790 |
| Spacegroup name | P 42 2 2 |
| Unit cell lengths | 51.445, 51.445, 98.006 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.003 - 1.630 |
| R-factor | 0.2147 |
| Rwork | 0.213 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.855 |
| 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] | 49.003 | 49.003 | 1.720 |
| High resolution limit [Å] | 1.630 | 5.150 | 1.630 |
| Rmerge | 0.018 | 1.746 | |
| Rmeas | 0.077 | 0.020 | 1.918 |
| Rpim | 0.031 | 0.008 | 0.778 |
| Total number of observations | 106444 | 3653 | 14646 |
| Number of reflections | 17151 | 650 | 2440 |
| <I/σ(I)> | 14 | 62.5 | 1 |
| Completeness [%] | 99.8 | 99.8 | 99 |
| Redundancy | 6.2 | 5.6 | 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, 1.4 M Sodium citrate tribasic dihydrate |
