1J2Y

Crystal structure of the type II 3-dehydroquinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-6A
Synchrotron site	Photon Factory
Beamline	BL-6A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00000
Spacegroup name	P 42 3 2
Unit cell lengths	98.910, 98.910, 98.910
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.600
R-factor	0.218
Rwork	0.218
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dhq
RMSD bond length	0.009
RMSD bond angle	23.700 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.640
High resolution limit [Å]	2.500	2.500
Number of reflections	6146
Completeness [%]	100.0	100
Redundancy	38

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	296 *	Kwak, J.E., (2001) Acta Crystallogr., D57, 279. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)