1YFX

Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase from Ralstonia metallidurans complexed with 4-chloro-3-hydroxyanthranilic acid and NO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 8-BM
Synchrotron site	APS
Beamline	8-BM
Wavelength(s)	0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	57.900, 57.900, 230.600
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.950 - 2.000
R-factor	0.244
Rwork	0.244
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.950	2.130
High resolution limit [Å]	2.000	2.000
Number of reflections	13445
Completeness [%]	81.8	62.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	PEG 8000, magnesium chloride, Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K