1QUA

CRYSTAL STRUCTURE OF ACUTOLYSIN-C, A HEMORRHAGIC TOXIN FROM THE SNAKE VENOM OF AGKISTRODON ACUTUS, AT 2.2 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	46.838, 49.524, 95.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.176
Rwork	0.176
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CRYSTAL STRUCTURE OF H2-PROTEINASE
RMSD bond length	0.015
RMSD bond angle	1.850
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]	20.000	2.250
High resolution limit [Å]	2.200	2.200
Rmerge	0.080	0.263
Number of reflections	10704
Completeness [%]	90.7	95.5
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl
3	1	drop	PEG4000	10 (%(w/v))
4	1	reservoir	Tris-HCl
5	1	reservoir	PEG4000	20 (%(w/v))