6VAW
Peanut lectin complexed with N-beta-D-galactopyranosyl-L-succinamoyl derivative (NGS)
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 | 76.222, 125.052, 126.844 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.420 - 1.750 |
| R-factor | 0.213 |
| Rwork | 0.212 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pel |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| 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] | 45.420 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.067 | 0.910 |
| Rmeas | 0.072 | 0.977 |
| Rpim | 0.026 | 0.351 |
| Number of reflections | 122422 | 5994 |
| <I/σ(I)> | 16.2 | 2.1 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 7.5 | 7.6 |
| CC(1/2) | 0.999 | 0.795 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 15% (w/v) PEG 8000, 0.1M sodium citrate, 0.05M ammonium sulfate |
