6R3P

Crystal structure of human DMC1 ATPase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-04-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9159
Spacegroup name	I 4 2 2
Unit cell lengths	174.490, 174.490, 179.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.011 - 2.050
R-factor	0.1954
Rwork	0.194
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hyy
RMSD bond length	0.002
RMSD bond angle	0.478
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.490	2.090
High resolution limit [Å]	2.050	2.050
Rmeas	0.096	2.038
Rpim	0.034	0.720
Number of reflections	86315	4545
<I/σ(I)>	19.5	1.6
Completeness [%]	100.0	100
Redundancy	15	15.5
CC(1/2)	1.000	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	50 mM HEPES-NaOH pH 7.2, 50 mM MgCl2, 500 mM NaCl, 7.5 % PEG3350