5ZAD

Human topoisomerase II beta in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-06
Detector	RAYONIX MX-225
Wavelength(s)	0.97845
Spacegroup name	P 32
Unit cell lengths	95.006, 95.006, 230.289
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.064 - 2.540
R-factor	0.1826
Rwork	0.180
R-free	0.22740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qx3
RMSD bond length	0.009
RMSD bond angle	1.253
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.083	3.017
Rmeas	0.095	3.653
Rpim	0.045	2.021
Number of reflections	118178	5596
<I/σ(I)>	15.711	0.244
Completeness [%]	99.5	95.4
Redundancy	4.2	2.9
CC(1/2)		0.120

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	100mM magnesium chloride, 50mM sodium citrate, pH 5.3, 20% MPD, 0.05% ethyl acetate