7MG4

Concanavalin A crystallized in the presence of Gal-ATAT

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	2020-07-19
Detector	RAYONIX MX-300
Wavelength(s)	0.9786
Spacegroup name	I 2 2 2
Unit cell lengths	61.630, 86.030, 89.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	61.930 - 2.000
R-factor	0.182
Rwork	0.179
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbc
RMSD bond length	0.009
RMSD bond angle	1.566
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]	61.930	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.114	0.450
Number of reflections	14558	1983
<I/σ(I)>	3.0684
Completeness [%]	93.4	84.7
Redundancy	7.66	7.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	Sitting drop comprising 1 uL of Concanavalin A (32 uM) and Gal-ATAT (128 uM) + 1 uL crystallization condition (Helix screen, condition H9: 0.1 M potassium chloride, 0.002 M spermine tetrahydrochloride, 0.05 M bis-Tris (pH 7.5), 7% w/v PEG 8000). Reservoir contained 70 uL of crystallization condition.