5DNY

Structure of the ATPrS-Mre11/Rad50-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-09-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	84.303, 130.111, 166.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.865 - 3.110
R-factor	0.2239
Rwork	0.221
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.567
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((1.10-2152_1745))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.110	3.100
Number of reflections	32303
<I/σ(I)>	18.7
Completeness [%]	96.4	97
Redundancy	6.3	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG 400, Tris-HCl, Trimethylamine hydrochloride