7MGC

Concanavalin A bound to a DNA glycoconjugate, G(Man-T)AC

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	69.330, 117.340, 122.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.700 - 2.920
R-factor	0.23168
Rwork	0.229
R-free	0.27679
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cna
RMSD bond length	0.007
RMSD bond angle	1.539
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]	84.700	3.080
High resolution limit [Å]	2.920	2.920
Rmerge	0.148	0.560
Rmeas	0.160	0.599
Number of reflections	19900	3178
<I/σ(I)>	4.1051
Completeness [%]	94.3	99.75
Redundancy	7.39	7.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	Sitting drop comprising 1 uL of Concanavalin A (40 uM) and G(Man-T)AC (160 uM) + 1 uL crystallization condition (Helix screen, condition H6: 0.1 M potassium chloride, 0.002 M spermine tetrahydrochloride, 0.05 M bis-Tris (pH 7), 15% w/v PEG 2000 MME). Reservoir contained 70 uL of crystallization condition