9BQ7

Human Topoisomerase 2 Alpha 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	2022-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 21 21 21
Unit cell lengths	69.930, 92.847, 126.949
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.000 - 2.050
R-factor	0.2261
Rwork	0.225
R-free	0.26320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.538
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.109
Number of reflections	52693	5172
<I/σ(I)>	19.4
Completeness [%]	100.0
Redundancy	6.8
CC(1/2)	1.000	0.496

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