9BQD

Human Topoisomerase 2 Beta ATPase domain bound to topobexin 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	2022-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 41 21 2
Unit cell lengths	83.940, 83.940, 127.124
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.380 - 1.500
R-factor	0.1322
Rwork	0.131
R-free	0.16160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.126
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	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.078	0.036	2.218
Rmeas	0.082	0.038	2.306
Rpim	0.022	0.010	0.625
Total number of observations	961190
Number of reflections	73237	7767	7214
<I/σ(I)>	8
Completeness [%]	100.0	99.9	100
Redundancy	13.1	12.6	13.1
CC(1/2)	0.999	0.999	0.427

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	18% PEG3350, 0.2M potassium citrate