9BQ8

Human Topoisomerase 2 Beta ATPase domain bound to non-hydrolyzable ATP analog AMPPNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 41 21 2
Unit cell lengths	83.766, 83.766, 127.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.330 - 1.250
R-factor	0.1302
Rwork	0.130
R-free	0.15940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.875
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.290
High resolution limit [Å]	1.250	2.690	1.250
Rmerge	0.081	0.038	2.133
Rmeas	0.084	0.039	2.223
Rpim	0.023	0.011	0.619
Total number of observations	1642215
Number of reflections	124799	13125	12223
<I/σ(I)>	6.6
Completeness [%]	100.0	99.9	99.6
Redundancy	13.2	13	12.3
CC(1/2)	0.998	0.999	0.493

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	20% PEG3350, 0.3M potassium citrate, 0.1M HEPES pH7.0