5INL

Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mg2+ complex with deoxyadenosine

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	2015-08-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	54.903, 69.051, 167.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.078 - 1.551
R-factor	0.1312
Rwork	0.129
R-free	0.16810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gz1
RMSD bond length	0.005
RMSD bond angle	0.848
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	1.610
High resolution limit [Å]	1.550	3.340	1.550
Rmerge	0.067	0.047	0.588
Rmeas	0.074
Rpim	0.031
Total number of observations	495891
Number of reflections	91961
<I/σ(I)>	13.7
Completeness [%]	99.0	99.3	91.5
Redundancy	5.4	5.4	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	14% PEG3350, 100mM HEPES, 200mM NaOAc, 25 mM magnesium acetate