5INP

Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mn2+ complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-05
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	54.592, 68.521, 166.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.842 - 1.947
R-factor	0.1442
Rwork	0.143
R-free	0.16960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gz1
RMSD bond length	0.006
RMSD bond angle	1.026
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.947	4.200	1.950
Rmerge	0.054	0.040	0.181
Number of reflections	82918
<I/σ(I)>	15.4
Completeness [%]	97.1	98.2	80.7
Redundancy	5.5	7.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	100 mM HEPES, 14-18% PEG3350, 200 mM sodium acetate, 10mM magnesium acetate. Crystal was soaked into the same condition with 5mM manganese chloride instead of magnesium acetate