1JLY

CRYSTAL STRUCTURE OF AMARANTHUS CAUDATUS AGGLUTININ

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	296
Detector technology	AREA DETECTOR
Collection date	1994-03-01
Detector	ADSC
Spacegroup name	P 21 21 21
Unit cell lengths	111.300, 99.100, 66.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.200
R-factor	0.174
Rwork	0.174
R-free	0.24600
Structure solution method	MIR
RMSD bond length	0.012
RMSD bond angle	27.150 *
Data reduction software	SDMS ((NIELSEN))
Data scaling software	SDMS
Phasing software	PHASES
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.200 *	2.200
Rmerge	0.068	0.177
Number of reflections	36419
<I/σ(I)>	11.3	2.6
Completeness [%]	92.3	72.2
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.7		pH 6.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7.5 (mg/ml)
2	1	drop	sodium azide	0.01 (%)
3	1	drop	HEPES	55 (mM)
4	1	drop	PEG400	15 (%)
5	1	reservoir	PEG400	30 (%)
6	1	reservoir	HEPES	100 (mM)