7MG9

Concanavalin A bound to DNA glycoconjugates, Man-TTTT and Man-AAAA

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	2020-09-20
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 21 2 21
Unit cell lengths	65.979, 70.180, 124.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.180 - 2.550
R-factor	0.253
Rwork	0.250
R-free	0.31400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cna
RMSD bond length	0.008
RMSD bond angle	1.503
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]	70.180	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.180	0.580
Number of reflections	17243	2376
<I/σ(I)>	5.9147
Completeness [%]	93.1	86
Redundancy	3.25	2.9

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), Man-TTTT (64 uM), and Man-AAAA (64 uM) + 1 uL crystallization condition (Helix screen, condition B5: 0.1 M lithium chloride, 0.01 M manganese(II) chloride tetrahydrate, 0.05 M MES (pH 6.5), 17% w/v PEG 4000). Reservoir contained 70 uL of crystallization condition