5BTG

Crystal structure of a topoisomerase II complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 1 21 1
Unit cell lengths	108.094, 82.989, 129.101
Unit cell angles	90.00, 108.76, 90.00

Refinement procedure

Resolution	46.325 - 2.500
R-factor	0.2268
Rwork	0.226
R-free	0.24910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5bs8
RMSD bond length	0.004
RMSD bond angle	0.689
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]	46.330		2.589
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.139	0.026
Rmeas	0.162	0.036	1.364
Total number of observations	283517
Number of reflections	283502	1611	10601
<I/σ(I)>	8.93	22.06	1.37
Completeness [%]	99.7	96.6	99.57
Redundancy	3.8

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