8JA2

ASFV Topoisomerase ATPase domain in complex with AMP-PNP and Mg2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-02-28
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	P 61 2 2
Unit cell lengths	85.921, 85.921, 212.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.170 - 1.730
R-factor	0.1989
Rwork	0.198
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.703
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	BALBES
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.210	1.820
High resolution limit [Å]	1.730	1.730
Rmerge	0.069	0.404
Number of reflections	48808	6982
<I/σ(I)>	18.6
Completeness [%]	99.0	98.7
Redundancy	8.6	8.4
CC(1/2)	0.999	0.934

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG 3350, Tris, LiSO4