7MGD

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2020-09-20
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	60.560, 63.970, 126.450
Unit cell angles	90.00, 93.30, 90.00

Refinement procedure

Resolution	60.530 - 2.050
R-factor	0.213
Rwork	0.210
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbc
RMSD bond length	0.007
RMSD bond angle	1.464
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]	60.530	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.058	0.330
Number of reflections	52751	7339
<I/σ(I)>	3.2777
Completeness [%]	91.5	83.4
Redundancy	2.48	2.48

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 T(Man-T)TT (128 uM) + 1 uL crystallization condition (Helix screen, condition B6: 0.1 M sodium chloride, 0.005 M strontium chloride hexahydrate, 0.05 M MES (pH 6.5), 17% w/v PEG 4000). Reservoir contained 70 uL of crystallization condition