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8RS8

Crystal structure of BRCA1 BRCTs in complex with a RIF1 phosphopeptide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2020-01-26
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.91800
Spacegroup nameP 1 21 1
Unit cell lengths36.840, 173.716, 74.522
Unit cell angles90.00, 89.05, 90.00
Refinement procedure
Resolution56.550 - 1.310
R-factor0.1428
Rwork0.141
R-free0.17870
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.008
Data reduction softwareDIALS
Data scaling softwareDIALS
Phasing softwarePHASER
Refinement softwarePHENIX (1.20.1_4487)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]56.5501.357
High resolution limit [Å]1.3101.310
Number of reflections21924120958
<I/σ(I)>9.12
Completeness [%]98.1
Redundancy2.6
CC(1/2)0.9950.326
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP28755.5 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

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