7NEW
Fucosylated heterochiral linear peptide Fdln69 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 2.0 Angstrom resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-02 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 0.976437 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.586, 64.786, 73.632 |
| Unit cell angles | 90.00, 113.33, 90.00 |
Refinement procedure
| Resolution | 40.030 - 2.020 |
| R-factor | 0.208 |
| Rwork | 0.207 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oxc |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (v1.17) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.288 | 2.140 |
| High resolution limit [Å] | 2.017 | 2.020 |
| Rmeas | 0.167 | |
| Number of reflections | 71291 | 11367 |
| <I/σ(I)> | 6.89 | 1.01 |
| Completeness [%] | 97.5 | 96.1 |
| Redundancy | 3.55 | 3.48 |
| CC(1/2) | 0.995 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.2M Sodium citrate tribasic dihydrate, 0.1M Sodium cacodylate trihydrate pH 6.5, 30% v/v 2-Propanol |
