1SN1

STRUCTURE OF SCORPION NEUROTOXIN BMK M1

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1991-12-14
Detector	SIEMENS X200B
Spacegroup name	P 21 21 2
格子定数 [Å]	83.420, 41.090, 23.930
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	100.000 - 1.700
R因子	0.169 *
Rwork	0.169
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	BMK M8
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]	26.280 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	X-PLOR
Refinement software	X-PLOR (3.851)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	29.300	1.800
分解能 [Å] (高)	1.700	1.700
Rmerge_l_obs	0.050
Total number of observations	20330 *
独立反射数	8360
<I/σ(I)>	11
完全性 [%]	87.3	52.3 *
冗長性	2.2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Batch method *	7.5	23 *	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	1	protein	3.3 (mg/ml)
2	1	1		0.005 (M)
3	1	1	sodium phosphate	0.07 (M)
4	1	1	MPD