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