1QUA

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

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	298
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
格子定数 [Å]	46.838, 49.524, 95.343
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	8.000 - 2.200
R因子	0.176
Rwork	0.176
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CRYSTAL STRUCTURE OF H2-PROTEINASE
結合長の平均二乗偏差(RMSD) [Å]	0.015
結合角の平均二乗偏差(RMSD) [度]	1.850
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	2.250
分解能 [Å] (高)	2.200	2.200
Rmerge_l_obs	0.080	0.263
独立反射数	10704
完全性 [%]	90.7	95.5
冗長性	3.4

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion, hanging drop *	7.5		pH 7.5

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
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))