6VC4
Peanut lectin complexed with S-beta-D-Thiogalactopyranosyl beta-D-glucopyranoside derivative (STGD)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-26 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9801 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 76.067, 124.562, 127.188 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.640 - 1.900 |
R-factor | 0.223 |
Rwork | 0.222 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pel |
RMSD bond length | 0.010 |
RMSD bond angle | 1.200 |
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] | 62.280 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.129 | 1.011 |
Rmeas | 0.135 | 1.060 |
Rpim | 0.040 | 0.314 |
Number of reflections | 95802 | 4660 |
<I/σ(I)> | 11.8 | 2.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.7 | 11.2 |
CC(1/2) | 0.997 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 15% (w/v) PEG 8000, 0.1 sodium citrate, 0.125M ammonium sulfate |