2DVX

Crystal Structure of 2,6-Dihydroxybenzoate Decarboxylase Complexed with inhibitor 2,3-dihydroxybenzaldehyde

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2005-07-04
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	109.020, 113.548, 119.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.240 - 1.700
R-factor	0.184
Rwork	0.184
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvt
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.258	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	161898
Completeness [%]	99.6	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 8000, HEPES-Na, Ethyleneglycol., pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K