1C3A

CRYSTAL STRUCTURE OF FLAVOCETIN-A FROM THE HABU SNAKE VENOM, A NOVEL CYCLIC TETRAMER OF C-TYPE LECTIN-LIKE HETERODIMERS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6B
Synchrotron site	Photon Factory
Beamline	BL-6B
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1998-03-19
Detector	FUJI
Spacegroup name	I 4
Unit cell lengths	120.510, 120.510, 62.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.500
R-factor	0.208
Rwork	0.208
R-free	0.26900
RMSD bond length	0.007
RMSD bond angle	23.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.000	2.610
High resolution limit [Å]	2.500	2.500
Rmerge	0.082	0.380 *
Number of reflections	15078
<I/σ(I)>	13.1
Completeness [%]	95.6	74.2
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.6	20 *	2-methyl-2,4-pentanediol, calcium chloride, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	9 (%(v/v))
2	1	reservoir	sodium acetate	0.1 (M)
3	1	reservoir		10 (mM)