2EI3

Anaerobic Crystal Structure Analysis of the 1,2-dihydroxynaphthalene dioxygenase from Pseudomonas sp. strain C18 complexes with 2,3-dihydroxybiphenyl

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	I 4 2 2
格子定数 [Å]	117.785, 117.785, 121.528
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	28.500 - 1.900
R因子	0.18225
Rwork	0.180
R-free	0.20564
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1han
結合長の平均二乗偏差(RMSD) [Å]	0.014
結合角の平均二乗偏差(RMSD) [度]	1.339
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000
分解能 [Å] (高)	1.900	1.900
独立反射数	26960
完全性 [%]	91.8	88.8
冗長性	4.3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, SITTING DROP	7	294	1.8M NaCl, 0.1M MgCl2, 0.1M Hepes, anaerobic crystallization, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 294K