6FOZ

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 13

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	2016-01-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 1 21 1
Unit cell lengths	69.540, 52.190, 136.210
Unit cell angles	90.00, 103.53, 90.00

Refinement procedure

Resolution	66.890 - 2.150
R-factor	0.2003
Rwork	0.199
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Inhouse
RMSD bond length	0.003
RMSD bond angle	0.623
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER (1.13_2998)
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.890	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.063	0.601
Rmeas	0.075
Rpim	0.041	0.385
Number of reflections	51820	5188
<I/σ(I)>	12.94	2.02
Completeness [%]	99.2	99.81
Redundancy	3.2	3.4
CC(1/2)	0.998	0.723

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