1D0I

CRYSTAL STRUCTURE OF TYPE II DEHYDROQUINASE FROM STREPTOMYCES COELICOLOR COMPLEXED WITH PHOSPHATE IONS

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	1998-03-04
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	113.200, 137.500, 140.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.030 - 1.800
R-factor	0.149 *
Rwork	0.171
R-free	0.20300 *
RMSD bond length	0.018 *
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.030	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.053	0.593
Total number of observations	798417 *
Number of reflections	199360
<I/σ(I)>	13.6
Completeness [%]	98.7	93.5
Redundancy	4	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8.5	295	PEG 8000, SODIUM/POTASSIUM PHOSPHATE, TRIS BUFFER, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris	0.1 (M)
2	1	1	PEG8000	10-20 (%)
3	1	1	sodium potassium phosphate	0.2 (M)