5NA5

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) apo structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.92819
Spacegroup name	P 1 21 1
Unit cell lengths	70.430, 53.740, 137.560
Unit cell angles	90.00, 103.64, 90.00

Refinement procedure

Resolution	133.680 - 1.940
R-factor	0.2019
Rwork	0.201
R-free	0.23130
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	BUSTER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	134.000	1.980
High resolution limit [Å]	1.940	1.940
Rmerge	0.052	0.578
Number of reflections	71621	3201
<I/σ(I)>	16.9	2.5
Completeness [%]	96.4	86.4
Redundancy	3.2	3.1
CC(1/2)	0.993	0.542

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	20% glycerol, 14.4% PEG 8000, 0.08 M sodium cacodylate pH 6.5, 0.16 M calcium acetate or 20% glycerol, 16% PEG 8000, 0.08M sodium cacodylate pH 6.5, 0.16M magnesium acetate