7MG6

Concanavalin A bound to a DNA glycoconjugate, Man-AGCT

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 21 2 21
Unit cell lengths	65.729, 70.890, 125.839
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.890 - 1.700
R-factor	0.178
Rwork	0.177
R-free	0.20700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbc
RMSD bond length	0.014
RMSD bond angle	1.689
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]	70.890	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.098	0.240
Number of reflections	61815	9422
<I/σ(I)>	2.7065
Completeness [%]	99.6	100
Redundancy	8.75	9.03

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	Sitting drop comprising 1 uL of Concanavalin A (40 uM) and Man-AGCT (160 uM) + 1 uL crystallization condition (Helix screen, condition D3: 0.2 M lithium sulfate, 0.05 M bis Tris (pH 7), 20% v/v MPD). Reservoir contained 70 uL of crystallization condition.