7MG7

Concanavalin A bound to a DNA glycoconjugate, Man-GTAC

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2020-07-19
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	65.869, 70.400, 125.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.620 - 1.750
R-factor	0.188
Rwork	0.186
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbc
RMSD bond length	0.014
RMSD bond angle	1.634
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]	62.620	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.069	0.540
Number of reflections	50644	8564
<I/σ(I)>	6.515
Completeness [%]	89.8	100
Redundancy	8.52	8.28

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	Sitting drop comprising 1 uL of Concanavalin A (32 uM) and Man-GTAC (128 uM) + 1 uL crystallization condition (Helix screen, condition A4: 0.2 M potassium chloride, 0.005 M hexammine cobalt(III) chloride, 0.05 M MES (pH 6.5), 25% v/v PEG 400). Reservoir contained 70 uL of crystallization condition