4PH6

Structure of 3-Dehydroquinate Dehydratase from Enterococcus faecalis

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-06
Detector	Bruker Platinum 135
Wavelength(s)	1.541
Spacegroup name	P 1
格子定数 [Å]	42.973, 48.288, 67.429
格子定数 [度]	108.07, 92.86, 111.83

精密化法

分解能	19.789 - 2.200
R因子	0.1889
Rwork	0.185
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3j3s
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]	1.042
Data scaling software	PROTEUM PLUS (3.11)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	19.789	2.300
分解能 [Å] (高)	2.200	2.200
Rmerge_l_obs	0.059	0.207
独立反射数	21267
<I/σ(I)>	9.19	3.66
完全性 [%]	89.2	46.2
冗長性	1.73	1.1

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	100 mM HEPES sodium salt, pH 7.5, 30% (w/v) PEG 4000, 0.2 M calcium chloride