9BQB

Human Topoisomerase 2 Alpha 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)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	69.798, 92.536, 125.585
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.680 - 1.500
R-factor	0.1403
Rwork	0.140
R-free	0.17590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.011
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

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	0.072	0.039	1.536
Rmeas	0.075	0.041	1.600
Rpim	0.020	0.011	0.441
Total number of observations	1718606
Number of reflections	130369	13587	12903
<I/σ(I)>	9.3
Completeness [%]	99.9	99.9	100
Redundancy	13.2	12.8	12.9
CC(1/2)	0.996	0.999	0.606

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