6FP1

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9282
Spacegroup name	P 1 21 1
Unit cell lengths	71.080, 52.920, 137.460
Unit cell angles	90.00, 104.08, 90.00

Refinement procedure

Resolution	19.980 - 1.970
R-factor	0.1833
Rwork	0.182
R-free	0.21240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Inhouse
RMSD bond length	0.006
RMSD bond angle	0.795
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]	19.980	2.040
High resolution limit [Å]	1.970	1.970
Rmerge	0.080	0.830
Rpim	0.051	0.530
Number of reflections	69338	6912
<I/σ(I)>	11.07	1.54
Completeness [%]	98.2	99.08
Redundancy	3.4	3.4
CC(1/2)	0.998	0.583

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