1LGT

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

Experimental procedure

Experimental method	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
Unit cell lengths	122.337, 122.337, 106.947
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 1.700
Rwork	0.207
R-free	0.24100 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.270 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.083	0.340
Total number of observations	1480972 *
Number of reflections	44042 *
Completeness [%]	96.8 *	94.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5	5-10 *	Han, S., (1995) Science, 270, 976. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	18-22 (%)
2	1	reservoir	t-butanol	10-15 (%)