7Y3W

Crystal structure of an questin oxidase (BTG13) from Cercospora sp. JNU001

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-12
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	78.781, 99.618, 130.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.100 - 1.900
R-factor	0.1515
Rwork	0.150
R-free	0.18170
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.646
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.145	0.038	0.799
Rmeas	0.154	0.041	0.861
Rpim	0.051	0.013	0.310
Total number of observations	709190
Number of reflections	80589	8535	7151
<I/σ(I)>	4.6
Completeness [%]	98.7	99.6	88.9
Redundancy	8.8	8.9	7
CC(1/2)		0.998	0.706

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.45	291	0.1 M Bis-Tris pH 6.45, 16% PEG10000