6FOX

The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with kynurenine

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	2017-01-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	69.908, 52.542, 136.173
Unit cell angles	90.00, 104.14, 90.00

Refinement procedure

Resolution	44.020 - 1.900
R-factor	0.1712
Rwork	0.170
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Inhouse
RMSD bond length	0.004
RMSD bond angle	0.677
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]	44.020	1.967
High resolution limit [Å]	1.899	1.899
Rmerge	0.062	0.185
Rpim	0.035	0.103
Number of reflections	74533	7153
<I/σ(I)>	14.28	5.43
Completeness [%]	97.7	94.67
Redundancy	4.1	4
CC(1/2)	0.997	0.957

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