6CAF

High Resolution Structure of Concanavalin B from Jack Bean (Canavalia ensiformis), A Chitinase-like Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	173
Detector technology	PIXEL
Collection date	2016-08-20
Detector	DECTRIS PILATUS3 R CdTe 300K-W
Wavelength(s)	0.987
Spacegroup name	P 61
Unit cell lengths	79.987, 79.987, 101.312
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	69.270 - 1.300
R-factor	0.09728
Rwork	0.096
R-free	0.12778
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.561
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	101.310	1.330
High resolution limit [Å]	1.300	1.300
Rmerge	0.167	0.850
Rmeas	0.168	0.918
Rpim	0.022	0.331
Number of reflections	73116	794
<I/σ(I)>	50.1	3.6
Completeness [%]	82.0	18.1
Redundancy	51.5	5.5
CC(1/2)	1.000	0.710

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	2% saturated ammonium sulfate buffered with Na phosphate at pH 6.5. Room temperature, crystallization in about 1 week. Protein dissolved in 5% NaCl and 0.1 M acetic acid.