7MGB
Concanavalin A bound to a DNA glycoconjugate, A(Man-T)AT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0782 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 68.009, 117.480, 122.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 84.790 - 2.450 |
R-factor | 0.2154 |
Rwork | 0.213 |
R-free | 0.26221 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cna |
RMSD bond length | 0.009 |
RMSD bond angle | 1.637 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 84.790 | 2.580 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.147 | 0.830 |
Rmeas | 0.158 | 0.888 |
Number of reflections | 33189 | 5282 |
<I/σ(I)> | 3.9634 | |
Completeness [%] | 94.9 | 99.92 |
Redundancy | 7.43 | 7.53 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | Sitting drop comprising 1 uL of Concanavalin A (40 uM) and A(Man-T)AT (160 uM) + 1 uL crystallization condition (Helix screen, condition H10: 0.05 M lithium sulfate, 0.03 M magnesium sulfate heptahydrate, 0.05 M bis Tris (pH 8), 15% w/v PEG 3350). Reservoir contained 70 uL of crystallization condition |