3AV0

Crystal structure of Mre11-Rad50 bound to ATP S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-14
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	86.958, 147.129, 175.907
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.318 - 3.100
R-factor	0.2205
Rwork	0.214
R-free	0.27640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ii7 3auy
RMSD bond length	0.011
RMSD bond angle	1.398
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.3_473))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.150
High resolution limit [Å]	3.100	3.100
Number of reflections	20290
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	295	10 % PEG 3350, 0.1M ADA pH6.2, 0.1M Lithium sulfate, 2% iso-propanol, 5% Acetonitrile , 1mM ATP, 5mM magnessium chloride , VAPOR DIFFUSION, HANGING DROP, temperature 295K