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9QFF

Structure of SOS1 in complex with compound 3

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2022-04-21
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97950
Spacegroup nameP 21 21 21
Unit cell lengths41.458, 84.691, 176.383
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution88.190 - 1.879
R-factor0.2795
Rwork0.278
R-free0.30430
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle0.900
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareAMoRE
Refinement softwareBUSTER (2.11.8 (24-FEB-2021))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]88.1922.072
High resolution limit [Å]1.8791.879
Rmerge0.0530.716
Rmeas0.0560.752
Number of reflections338811694
<I/σ(I)>24
Completeness [%]89.1
Redundancy10
CC(1/2)1.0000.953
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP29310-20% (w/v) PEG3350, 5% (v/v) ethanol and 100mM PCTP pH 8.0

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