8I7Q

Cobalt and Calcium coordinated Concanavalin A at pH 7.4 from Canavalia ensiformis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	61.820, 86.050, 88.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.930 - 2.830
R-factor	0.2616
Rwork	0.258
R-free	0.29710
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.811
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.930	2.930
High resolution limit [Å]	2.830	2.830
Rmeas	0.070	0.413
Number of reflections	5904	588
<I/σ(I)>	8.2	2.2
Completeness [%]	99.9
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	295.15	0.01 M cobalt(II) chloride hexahydrate, 0.1 M MES monohydrate pH 6.5, 1.8 M ammonium sulfate