2GVE

Time-of-Flight Neutron Diffraction Structure of D-Xylose Isomerase

Experimental procedure

実験手法	LAUE
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	2003-09-15
Detector	Time-of-Flight Multiwire He3 neutron detector
Wavelength(s)	0.7-7.0
Spacegroup name	I 2 2 2
格子定数 [Å]	93.880, 99.680, 102.900
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	10.000 - 2.200
R因子	0.271
Rwork	0.268
R-free	0.31900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xib
結合長の平均二乗偏差(RMSD) [Å]	0.032
結合角の平均二乗偏差(RMSD) [度]	0.173
Data reduction software	d*TREK (modified for neutron time-of-flight laue)
Data scaling software	d*TREK (MODIFIED FOR NEUTRON TIME-OF-FLIGHT LAUE)
Phasing software	SHELXL-97
Refinement software	SHELXL-97

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	20.000	1.940
分解能 [Å] (高)	1.800	1.800
独立反射数	34394
完全性 [%]	78.0	39

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	LIQUID DIFFUSION	8	293	50mM tris-HCl,38%AMSO4,2mM Mn2+ and 2mM Co2+,XI @ 125mg/ml, pH 8.0, LIQUID DIFFUSION, temperature 293K