9BQ9

Human Topoisomerase 2 Alpha 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)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	70.098, 92.624, 126.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.040 - 1.950
R-factor	0.1999
Rwork	0.199
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.690
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.118	0.046	1.741
Rmeas	0.128	0.051	1.883
Rpim	0.049	0.020	0.711
Total number of observations	411194
Number of reflections	60765	6415	6006
<I/σ(I)>	6
Completeness [%]	99.3	99.4	99.7
Redundancy	6.8	6.5	6.8
CC(1/2)	0.996	0.996	0.485

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