7QE3
Se-M variant of B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9788 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 44.990, 58.579, 166.424 |
Unit cell angles | 90.00, 90.68, 90.00 |
Refinement procedure
Resolution | 39.775 - 2.200 |
Rwork | 0.182 |
R-free | 0.23120 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.920 |
Data reduction software | XDS |
Data scaling software | Aimless (1.12.2) |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.775 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.095 | 0.503 |
Rmeas | 0.120 | 0.634 |
Rpim | 0.072 | 0.383 |
Number of reflections | 44177 | 3794 |
<I/σ(I)> | 11.2 | 3 |
Completeness [%] | 99.5 | 98.3 |
Redundancy | 4.9 | 5 |
CC(1/2) | 0.996 | 0.852 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.1 M MOPSO, Bis-Tris pH 6.5, 100 mM AA (Arg, Thr, Lys, His), 45 % precipitant mix 6 Morpheus II-2 |