5GWK

Human topoisomerase IIalpha in complex with DNA and etoposide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-09-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97622
Spacegroup name	P 21 2 21
Unit cell lengths	105.113, 126.155, 198.856
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.488 - 3.152
R-factor	0.2046
Rwork	0.203
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qx3
RMSD bond length	0.002
RMSD bond angle	0.566
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.488	3.200
High resolution limit [Å]	3.150	3.150
Number of reflections	45909
<I/σ(I)>	24.6
Completeness [%]	99.2
Redundancy	6.7

Crystallization Conditions

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