1I49

CRYSTAL STRUCTURE ANALYSIS OF ARFAPTIN

Experimental procedure

実験手法	MAD
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.87
Spacegroup name	P 32 2 1
格子定数 [Å]	146.334, 146.334, 82.732
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	20.000 - 2.800
Rwork	0.234
R-free	0.27500
Structure solution method	MAD
結合長の平均二乗偏差(RMSD) [Å]	0.008
結合角の平均二乗偏差(RMSD) [度]	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	2.930
分解能 [Å] (高)	2.800	2.800
Rmerge_l_obs	0.075	0.309
独立反射数	25169
<I/σ(I)>	28.9
完全性 [%]	98.9
冗長性	3.3	3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	TRI-SODIUM CITRATE DIHYDRATE, ISOPROPANOL, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	TRI-SODIUM CITRATE DIHYDRATE, ISOPROPANOL, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	TRI-SODIUM CITRATE DIHYDRATE, ISOPROPANOL, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	TRI-SODIUM CITRATE DIHYDRATE, ISOPROPANOL, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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	10 (mg/ml)
2	1	reservoir	tri-sodium citrate dihydrate	0.1 (M)
3	1	reservoir	isopropanol	10 (%(v/v))
4	1	reservoir	sodium HEPES	50 (mM)