1LGT

CRYSTAL STRUCTURE OF 2,3-DIHYDROXYBIPHENYL 1,2-DIOXYGENASE (DHBD) COMPLEXED WITH 2'-Cl DIHYDROXYBIPHENYL (DHB)

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-10
Detector	CUSTOM-MADE
Wavelength(s)	0.97833
Spacegroup name	I 4 2 2
格子定数 [Å]	122.337, 122.337, 106.947
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	25.000 * - 1.700
Rwork	0.207
R-free	0.24100 *
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.006
結合角の平均二乗偏差(RMSD) [度]	1.270 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	50.000	1.750
分解能 [Å] (高)	1.690	1.690
Rmerge_l_obs	0.083	0.340
Total number of observations	1480972 *
独立反射数	44042 *
完全性 [%]	96.8 *	94.8 *

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Vapor diffusion *	7.5	5-10 *	Han, S., (1995) Science, 270, 976. *

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
1	1	reservoir	PEG4000	18-22 (%)
2	1	reservoir	t-butanol	10-15 (%)