5BTC

Crystal structure of a topoisomerase II complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-11-02
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	108.336, 82.976, 129.703
Unit cell angles	90.00, 109.06, 90.00

Refinement procedure

Resolution	47.699 - 2.550
R-factor	0.2256
Rwork	0.224
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bs8
RMSD bond length	0.005
RMSD bond angle	0.696
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.700		2.641
High resolution limit [Å]	2.550	11.400	2.550
Rmerge	0.110	0.027
Rmeas	0.136	0.038	1.404
Total number of observations	239756
Number of reflections	239725	1427	9517
<I/σ(I)>	8.98	21.3	1.26
Completeness [%]	98.6	91.4	98.73
Redundancy	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	100 mM Tris-HCl, 13-15% PEG 4000, 200 mM MgCl2, 6.25% PEG 400