5DAC

ATP-gamma-S bound Rad50 from Chaetomium thermophilum in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-05-07
Detector	PSI PILATUS 6M
Wavelength(s)	0.9716
Spacegroup name	P 21 21 21
Unit cell lengths	92.312, 97.078, 115.012
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.477 - 2.503
R-factor	0.2121
Rwork	0.210
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5da9
RMSD bond length	0.008
RMSD bond angle	1.192
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.650
High resolution limit [Å]	2.500	2.500
Rmerge		1.850
Number of reflections	36106
<I/σ(I)>	11.96	1.33
Completeness [%]	99.5	97
Redundancy	12.8	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.25 M potassium acetate, 42% (v/v) pentaerythritol propoxylate (5/4 PO/OH)