2G2D

Crystal structure of a putative pduO-type ATP:cobalamin adenosyltransferase from Mycobacterium tuberculosis

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-04
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	I 41 3 2
格子定数 [Å]	131.318, 131.318, 131.318
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	19.800 - 2.000
R因子	0.194
Rwork	0.194
R-free	0.22800
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]	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	2.070
分解能 [Å] (高)	2.000	2.000
独立反射数	13238
完全性 [%]	99.2	91.3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1M MES, 1.6M Ammonium Sulfate, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1M MES, 1.6M Ammonium Sulfate, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1M MES, 1.6M Ammonium Sulfate, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K