2OG1

Crystal Structure of BphD, a C-C hydrolase from Burkholderia xenovorans LB400

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	1998-09-18
Detector	ADSC QUANTUM 1
Spacegroup name	P 64
格子定数 [Å]	135.000, 135.000, 66.725
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	19.870 - 1.600
Rwork	0.208
R-free	0.22400
Structure solution method	MAD
結合長の平均二乗偏差(RMSD) [Å]	0.005
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 (1.17)
Refinement software	CNS (1.1)

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	50.000	50.000	1.630
分解能 [Å] (高)	1.600	4.340	1.600
Rmerge_l_obs	0.060	0.031	0.360
独立反射数	88125
<I/σ(I)>	9.9
完全性 [%]	96.6	97.5	74.1

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	2.0-2.4 M ammonium sulfate, 6-10% ethanol, 0.1M Tris-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	2.0-2.4 M ammonium sulfate, 6-10% ethanol, 0.1M Tris-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	2.0-2.4 M ammonium sulfate, 6-10% ethanol, 0.1M Tris-HCl, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K