5INM

Mouse Tdp2 protein, apo state with variable DNA-binding grasp conformations

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	2012-07-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	95.851, 113.445, 114.959
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.815 - 2.400
R-factor	0.1816
Rwork	0.179
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gz1
RMSD bond length	0.005
RMSD bond angle	0.814
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	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.124	0.078	0.518
Total number of observations	208499
Number of reflections	49969
<I/σ(I)>	6.6
Completeness [%]	98.0	95	94.2
Redundancy	4.2	4.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	14-18% PEG3350, 100mM HEPES, 200 mM lithium sulfate, and 10mM magnesium acetate