9BQA

Human Topoisomerase 2 Beta ATPase domain bound to BNS22 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	84.004, 84.004, 126.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.330 - 1.900
R-factor	0.1686
Rwork	0.167
R-free	0.19430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.838
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.118	0.048	1.777
Rmeas	0.123	0.050
Rpim	0.034	0.014	0.524
Total number of observations	465333
Number of reflections	36618	3941	3583
<I/σ(I)>	7.2
Completeness [%]	99.9	99.9	100
Redundancy	12.7	12.3	12.4
CC(1/2)	0.987	0.995	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	20% PEG3350, 0.2M potassium citrate, 0.1M tris pH 9.0