2OR2

Structure of the W47A/W242A Mutant of Bacterial Phosphatidylinositol-Specific Phospholipase C

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-01-01
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
格子定数 [Å]	64.424, 70.028, 154.138
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	50.000 - 1.840
Rwork	0.186
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR (2.5)
Refinement software	CNS

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	50.000	50.000	1.880
分解能 [Å] (高)	1.840	4.540	1.840
Rmerge_l_obs	0.042	0.030	0.158
独立反射数	60615
<I/σ(I)>	22.4
完全性 [%]	98.8	99.3	90.6
冗長性	4.4	4.4	2.3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION	5.4	290	15% 2-methyl-2,4-pentanediol, 16% PEG400, pH 5.4, vapor diffusion, temperature 290K
1	VAPOR DIFFUSION	5.4	290	15% 2-methyl-2,4-pentanediol, 16% PEG400, pH 5.4, vapor diffusion, temperature 290K