8QQE

Crystal structure of the complex between DMC1 and the PhePP domain of BRCA2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-02
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.965459
Spacegroup name	I 4 3 2
Unit cell lengths	234.383, 234.383, 234.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.840 - 3.461
R-factor	0.2491
Rwork	0.248
R-free	0.26090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.800
Data reduction software	XDS (20220820)
Data scaling software	STARANISO
Phasing software	MOLREP (11.9.02)
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.840	3.550
High resolution limit [Å]	3.460	3.460
Rmerge	0.228	6.345
Rmeas	0.229	6.387
Rpim	0.026	0.728
Number of reflections	14667	1058
<I/σ(I)>	22.9	1.1
Completeness [%]	99.9	99.9
Redundancy	76.3	76.3
CC(1/2)	1.000	0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	293	0.1M MES at pH 6, 2.4 M sodium formate