2GUB

Crystal Structure of Metal Free D-Xylose Isomerase.

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	279
Detector technology	AREA DETECTOR
Collection date	1995-11-15
Detector	SIEMENS-NICOLET X100
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
格子定数 [Å]	93.800, 99.500, 102.800
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	70.710 - 1.800
R因子	0.16124
Rwork	0.160
R-free	0.19327
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1XIB without metal ions and solvent
結合長の平均二乗偏差(RMSD) [Å]	0.020
結合角の平均二乗偏差(RMSD) [度]	1.739
Data reduction software	DATCOL
Data scaling software	XDS
Refinement software	REFMAC (5.2.0005)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	70.710	1.900
分解能 [Å] (高)	1.800	1.800
独立反射数	40569
完全性 [%]	0.8	86.6

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	SMALL TUBES	8	279	Crystallization from solution containing metal free enzyme at 20 mg/ml, 0.8M AmSO4, 2mM Pipes. Crystallization occurred over 2 day period in sealed tubes., pH 8.0, SMALL TUBES, temperature 279K