3HBC

Crystal Structure of Choloylglycine Hydrolase from Bacteroides thetaiotaomicron VPI

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	F 2 2 2
格子定数 [Å]	74.281, 135.208, 167.589
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	42.390 - 2.269
R因子	0.193
Rwork	0.191
R-free	0.23200
Structure solution method	SAD
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]	1.195
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 2009_02_15_2320_3))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	42.390	2.290
分解能 [Å] (高)	2.250	2.250
独立反射数	19843
<I/σ(I)>	11.8	2.4
完全性 [%]	99.7	96.9
冗長性	8.7	7.4

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	0.05 M Magnesium chloride, 0.1 M HEPES 7.5, 30 % v/v Polyethylene glycol monomethyl ether 550, VAPOR DIFFUSION, SITTING DROP, temperature 277K