6FOY

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	69.800, 52.977, 135.765
Unit cell angles	90.00, 103.83, 90.00

Refinement procedure

Resolution	67.780 - 1.650
R-factor	0.1646
Rwork	0.164
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Inhouse
RMSD bond length	0.010
RMSD bond angle	0.984
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.780	1.709
High resolution limit [Å]	1.650	1.650
Rmerge	0.057	0.619
Rpim	0.038	0.509
Number of reflections	115076	10780
<I/σ(I)>	10.99	1.49
Completeness [%]	98.2	89.92
Redundancy	3	2.1
CC(1/2)	0.998	0.526

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.2 M sodium acetate trihydrate, 0.1 M sodium cacodylate pH6.5, 18 % w/v PEG 8000