6V95
Peanut lectin complexed with divalent N-beta-D-galactopyranosyl-L-tartaramidoyl derivative (diNGT)
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) | 0.97625 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 75.941, 124.553, 127.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.060 - 1.780 |
| 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 | 1.180 |
| 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] | 48.820 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.074 | 0.848 |
| Rmeas | 0.079 | 0.910 |
| Rpim | 0.029 | 0.328 |
| Number of reflections | 116267 | 5724 |
| <I/σ(I)> | 14.6 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.5 |
| CC(1/2) | 0.999 | 0.844 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 15% (w/v) PEG 8000, 0.1M sodium citrate, 0.1M ammonium sulfate |
