3DSD

Crystal structure of P. furiosus Mre11-H85S bound to a branched DNA and manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 12.3.1
Synchrotron site	ALS
Beamline	12.3.1
Wavelength(s)	1.1159
Spacegroup name	P 21 21 21
Unit cell lengths	77.157, 88.128, 137.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.20196
Rwork	0.200
R-free	0.24606
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ii7
RMSD bond length	0.011
RMSD bond angle	1.390
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.200
Rmerge	0.071
Number of reflections	47737
<I/σ(I)>	20.1
Completeness [%]	98.5
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	40% PEG 200, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PEG 200
2	1	1	HEPES
3	1	2	PEG 200
4	1	2	HEPES