5Y66

Crystal structure of Pseudomonas fluorescens Kynurenine 3-monooxygenase in complex with L-KYN and Ro61-8048

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-20
Detector	MAR CCD 130 mm
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	46.370, 86.242, 121.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.579 - 2.340
R-factor	0.1742
Rwork	0.171
R-free	0.23580
RMSD bond length	0.009
RMSD bond angle	1.543
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.340
Number of reflections	19636
<I/σ(I)>	15.9
Completeness [%]	91.8
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	293	0.1 M sodium citrate at pH 5.5, 17% w/v PEG3350 and 0.1% w/v n-Octyl-beta-D-glucoside