8JA1

ASFV Topoisomerase ATPase domain in complex with AMP-PNP and Mg2+ (oxidized form)

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	2022-04-27
Detector	RAYONIX MX300-HS
Wavelength(s)	0.9998
Spacegroup name	P 61 2 2
Unit cell lengths	85.759, 85.759, 212.302
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.130 - 1.140
R-factor	0.184
Rwork	0.184
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.037
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.180	1.200
High resolution limit [Å]	1.140	1.140
Rmerge	0.098
Number of reflections	166668	23634
<I/σ(I)>	15.1
Completeness [%]	99.8
Redundancy	20
CC(1/2)	0.999	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	PEG 3350, LiSO4, Tris-HCl