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 |
