2CAU

CANAVALIN FROM JACK BEAN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	291
Detector technology	AREA DETECTOR
Detector	SDMS
Spacegroup name	P 21 3
Unit cell lengths	105.990, 105.990, 105.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.175 *
Rwork	0.175
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cav
RMSD bond length	0.010
RMSD bond angle	27.800 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	MERLOT
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.180
High resolution limit [Å]	2.020	2.020
Rmerge	0.048	0.184
Total number of observations	71863 *
Number of reflections	22331	3415 *
<I/σ(I)>	21	3
Completeness [%]	85.5	66.5
Redundancy	3.2	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.8	277-281 *	THIS CRYSTAL FORM COULD BE GROWN ONLY OCCASIONALLY. BASICALLY IT WAS CRYSTALLIZED FROM PURIFIED PROTEIN AFTER TRYPSIN TREATMENT IN PHOSPHATE BUFFERED SALINE, BUT WAS DIFFICULT TO REPRODUCE., pH 6.8

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-20 (mg/ml)
2	1	drop		1.0 (%)
3	1	drop	phosphate	50 (mM)