5ZRF

Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA and etoposide in space group p21

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-17
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	80.147, 176.270, 94.331
Unit cell angles	90.00, 111.44, 90.00

Refinement procedure

Resolution	19.869 - 2.300
R-factor	0.1894
Rwork	0.189
R-free	0.22650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qx3
RMSD bond length	0.006
RMSD bond angle	0.863
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	99792
<I/σ(I)>	18.4
Completeness [%]	92.2
Redundancy	2.9
CC(1/2)	0.930	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	Magnesium Acetate, 2-(N-morpholino)ethanesulfonic, 2-methyl-2,4-pentanediol