9BQC

Human Topoisomerase 2 Beta ATPase domain bound to obex 5c and non-hydrolyzable ATP analog AMPPNP

This is a non-PDB format compatible entry.

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	2022-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 41 21 2
Unit cell lengths	84.148, 84.148, 127.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.540 - 1.450
R-factor	0.1562
Rwork	0.156
R-free	0.17170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.013
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	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.047	0.031	1.228
Rmeas	0.050	0.034	1.317
Rpim	0.018	0.013	0.470
Total number of observations	603596
Number of reflections	81673	8640	8041
<I/σ(I)>	10.5
Completeness [%]	99.9	99.9	99.9
Redundancy	7.4	7.1	7.5
CC(1/2)	0.999	0.999	0.569

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	17% PEG3350, 0.1M potassium citrate, 0.1M HEPES pH7.0