3FNA

Crystal structure of the CBS pair of possible D-arabinose 5-phosphate isomerase yrbH from Escherichia coli CFT073

Experimental procedure

実験手法	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-13
Detector	CUSTOM-MADE
Wavelength(s)	0.97937, 0.97923
Spacegroup name	C 2 2 21
格子定数 [Å]	50.109, 108.458, 104.849
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	50.000 - 2.100
R因子	0.213
Rwork	0.211
R-free	0.24300
Structure solution method	MAD
結合長の平均二乗偏差(RMSD) [Å]	0.015
結合角の平均二乗偏差(RMSD) [度]	1.562
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	2.070
分解能 [Å] (高)	2.030	2.030
Rmerge_l_obs	0.093	0.587
独立反射数	18777
<I/σ(I)>	45.14
完全性 [%]	99.2	99.8
冗長性	9.6	9.3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	9.5	291	0.1M CHES pH 9.5, 20% PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 291K