8RS8

Crystal structure of BRCA1 BRCTs in complex with a RIF1 phosphopeptide

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	2020-01-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91800
Spacegroup name	P 1 21 1
Unit cell lengths	36.840, 173.716, 74.522
Unit cell angles	90.00, 89.05, 90.00

Refinement procedure

Resolution	56.550 - 1.310
R-factor	0.1428
Rwork	0.141
R-free	0.17870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.008
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.550	1.357
High resolution limit [Å]	1.310	1.310
Number of reflections	219241	20958
<I/σ(I)>	9.12
Completeness [%]	98.1
Redundancy	2.6
CC(1/2)	0.995	0.326

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287	55.5 mM MES, 44.5 mM Imidazole, 120 mM Diethylene glycol, 120 mM Triethylene-glycol, 120 mM Tetraethylene glycol, 120 mM Pentaethylene glycol, 20% (v/v) Ethylene glycol, 10% (w/v) PEG 8000