4J33

Crystal Structure of kynurenine 3-monooxygenase (KMO-394)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-14
Detector	PSI PILATUS 6M
Wavelength(s)	1.0725
Spacegroup name	P 1 21 1
Unit cell lengths	58.430, 98.730, 85.420
Unit cell angles	90.00, 105.26, 90.00

Refinement procedure

Resolution	63.266 - 1.820
R-factor	0.1891
Rwork	0.187
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.108
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall
Low resolution limit [Å]	63.300
High resolution limit [Å]	1.800
Number of reflections	83316

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	Crystals were grown by mixing 200 nl of protein (buffer A) with 200 nl of a reservoir solution containing 0.1 M imidazole, pH 7.8, and 11 % w/v polyethylene glycol 8K , VAPOR DIFFUSION, SITTING DROP, temperature 277K