6Q79
Structure of Fucosylated D-antimicrobial peptide SB4 in complex with the Fucose-binding lectin PA-IIL at 2.009 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 | 2016-03-16 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000030 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.422, 64.124, 68.960 |
| Unit cell angles | 90.00, 104.06, 90.00 |
Refinement procedure
| Resolution | 41.629 - 2.009 |
| R-factor | 0.1582 |
| Rwork | 0.154 |
| R-free | 0.23160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.825 |
| 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] | 41.629 | 41.629 | 2.120 |
| High resolution limit [Å] | 2.009 | 6.350 | 2.010 |
| Rmerge | 0.027 | 0.463 | |
| Rmeas | 0.078 | 0.031 | 0.554 |
| Rpim | 0.042 | 0.016 | 0.301 |
| Total number of observations | 107976 | 3787 | 14953 |
| Number of reflections | 31842 | 1053 | 4558 |
| <I/σ(I)> | 12.4 | 36.1 | 2.8 |
| Completeness [%] | 99.5 | 99.4 | 98.2 |
| Redundancy | 3.4 | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 291 | 0.1 M Sodium chloride, 0.1 M BICINE pH 9.0, 20% v/v Polyethylene glycol monomethyl ether 550 |
