7QE4
B-trefoil lectin from Salpingoeca rosetta in complex with GalNAc
This is a non-PDB format compatible entry.
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 | 2020-12-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.980107 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.158, 59.254, 209.612 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.280 - 1.700 |
Rwork | 0.169 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7qe3 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.433 |
Data reduction software | XDS |
Data scaling software | Aimless (1.12.4) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.190 | 45.190 | 1.730 |
High resolution limit [Å] | 1.700 | 9.000 | 1.700 |
Rmerge | 0.078 | 0.039 | 0.616 |
Rmeas | 0.089 | 0.045 | 0.705 |
Rpim | 0.041 | 0.021 | 0.339 |
Number of reflections | 79471 | 79471 | 79471 |
<I/σ(I)> | 14.6 | ||
Completeness [%] | 100.0 | ||
Redundancy | 8.5 | 7.1 | 8.3 |
CC(1/2) | 0.999 | 0.997 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 292 | 0.1 M MOPSO, Bis-Tris pH 6.5, 100 mM AA Morpheus I, 25 % PEG SMEAR MEDIUM |