5INO

Human Tdp2 reaction product (5'-phosphorylated DNA)-Mg2+ complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 31
Unit cell lengths	69.663, 69.663, 120.677
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.832 - 3.205
R-factor	0.216
Rwork	0.214
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gz1
RMSD bond length	0.003
RMSD bond angle	0.783
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.082	0.043	0.574
Total number of observations	41889
Number of reflections	10786
<I/σ(I)>	8.5
Completeness [%]	100.0	99.6	100
Redundancy	3.9	3.7	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	27% PEG600, 90 mM TRIS, 9% glycerol, 450 mM ammonium sulfate