8XHM

Crystal structure of Nocardia seriolae dUTP diphosphatase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-04-14
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.976
Spacegroup name	P 41 3 2
Unit cell lengths	120.807, 120.807, 120.807
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.300 - 2.120
R-factor	0.1868
Rwork	0.186
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1six
RMSD bond length	0.007
RMSD bond angle	0.909
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.300	2.196
High resolution limit [Å]	2.120	2.120
Rmerge	0.075
Rmeas	0.076
Rpim	0.011
Number of reflections	17649	1723
<I/σ(I)>	36.67	3.35
Completeness [%]	99.8	98.8
Redundancy	50.7
CC(1/2)	1.000	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	Diffractable crystals grew in 25% (w/v) polyethylene glycol 3350, 0.1 M Tris-HCl pH 8.5 at 293 K.