5MZC

Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-(5-chloro-6-ethoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	69.480, 53.310, 135.840
Unit cell angles	90.00, 104.50, 90.00

Refinement procedure

Resolution	43.840 - 1.820
R-factor	0.1766
Rwork	0.175
R-free	0.21000
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	1.880
High resolution limit [Å]	1.820	1.820
Rmerge	0.061	0.930
Number of reflections	84627	8158
<I/σ(I)>	10.5
Completeness [%]	97.6	96.9
Redundancy	3.4	3.5
CC(1/2)	0.998	0.466

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