1GU1

Crystal structure of type II dehydroquinase from Streptomyces coelicolor complexed with 2,3-anhydro-quinic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1998-03-15
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	113.600, 138.400, 141.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 1.800
Rwork	0.155
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dhq
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.000	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.088
Number of reflections	648516
Completeness [%]	98.1	90.9
Redundancy	4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		PEG 8000, SODIUM/POTASSIUM PHOSPHATE, TRIS BUFFER, pH 8.50