5INQ

Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Ca2+ 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	2015-08-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	54.702, 67.504, 167.529
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.077 - 1.848
R-factor	0.1594
Rwork	0.158
R-free	0.19480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gz1
RMSD bond length	0.010
RMSD bond angle	1.074
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	1.920
High resolution limit [Å]	1.848	3.990	1.850
Rmerge	0.068	0.048	0.564
Number of reflections	53955
<I/σ(I)>	11.1
Completeness [%]	99.9	99.3	100
Redundancy	6	5.7	6

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, 25 mM magnesium acetate