9BQ6

Human Topoisomerase 2 Alpha 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	2021-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	69.781, 92.699, 125.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.650 - 1.900
R-factor	0.177
Rwork	0.176
R-free	0.19580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.033
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.095	0.056	1.403
Rmeas	0.103	0.061	1.519
Rpim	0.039	0.024	0.577
Total number of observations	442076
Number of reflections	64775	6822	6370
<I/σ(I)>	7.5
Completeness [%]	99.9	99.8	99.6
Redundancy	6.8	6.5	6.8
CC(1/2)	0.998	0.997	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	20% PEG3350 (w/v), 0.2M NH4Cl, 0.1M Tris pH 8.0