6VGF
Peanut lectin complexed with divalent S-beta-D-thiogalactopyranosyl beta-D-glucopyranoside derivative (diSTGD)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 76.059, 125.041, 126.961 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.790 - 1.830 |
| R-factor | 0.223 |
| Rwork | 0.222 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pel |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.740 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.064 | 0.820 |
| Rmeas | 0.069 | 0.886 |
| Rpim | 0.025 | 0.330 |
| Number of reflections | 107143 | 5210 |
| <I/σ(I)> | 17.5 | 2.3 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 7.4 | 7.1 |
| CC(1/2) | 0.999 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 15% (w/v) PEG 8000, 0.1M sodium citrate, 0.125M ammonium sulfate |
