7EUS

Crystal structures of 2-oxoglutarate dependent dioxygenase (CTB9) 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	2020-07-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	42.427, 147.916, 54.163
Unit cell angles	90.00, 105.92, 90.00

Refinement procedure

Resolution	42.620 - 2.300
R-factor	0.1812
Rwork	0.177
R-free	0.21970
Structure solution method	SAD
RMSD bond length	0.009
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	2.380
High resolution limit [Å]	2.290	4.950	2.300
Rmerge	0.125	0.098	0.359
Rmeas	0.135	0.106	0.395
Rpim	0.051	0.040	0.161
Number of reflections	28264	2886	2805
<I/σ(I)>	6.1
Completeness [%]	98.6	98.9	98
Redundancy	6.6	6.7	5.8
CC(1/2)		0.985	0.892

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 mM Bis-Tris pH 6.5, 3% (v/v) glycerol, 25% (w/v) PEG 3350