1SN4

STRUCTURE OF SCORPION NEUROTOXIN BMK M4

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1991-12-14
Spacegroup name	P 61
格子定数 [Å]	54.880, 54.880, 33.760
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	20.000 - 1.300
R因子	0.166
Rwork	0.166
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BMK M1
結合長の平均二乗偏差(RMSD) [Å]	0.016
結合角の平均二乗偏差(RMSD) [度]	25.380 *
Data reduction software	WEIS
Data scaling software	WEIS
Phasing software	AMoRE
Refinement software	X-PLOR

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	21.300	1.350
分解能 [Å] (高)	1.300	1.300
Rmerge_l_obs	0.062	0.320
Total number of observations	23268 *
独立反射数	10578 *
<I/σ(I)>	3.7	2.2
完全性 [%]	73.5	60.2 *
冗長性	2.2	1.8

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion, hanging drop *	6.8	23 *	pH 6.8

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	acetic acid	0.001 (M)
3	1	reservoir	ammonium acetate	4.8 (M)