6XT6

pro-concanavalin A: Precursor of circularly permuted concanavalin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9536
Spacegroup name	I 1 2 1
Unit cell lengths	59.939, 90.420, 86.863
Unit cell angles	90.00, 91.13, 90.00

Refinement procedure

Resolution	48.885 - 2.103
Rwork	0.191
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbc
RMSD bond length	0.008
RMSD bond angle	1.527
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.885	2.160
High resolution limit [Å]	2.100	2.100
Number of reflections	26657	2045
<I/σ(I)>	6.5
Completeness [%]	98.8
Redundancy	3.4
CC(1/2)	0.994	0.743

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Zinc chloride, HEPES, PEG 6000