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4DSO

Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL11-1
Synchrotron siteSSRL
BeamlineBL11-1
Temperature [K]93
Detector technologyCCD
Collection date2009-01-14
DetectorMARMOSAIC 325 mm CCD
Wavelength(s)0.97945
Spacegroup nameH 3
Unit cell lengths79.374, 79.374, 77.749
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution25.920 - 1.850
R-factor0.17211
Rwork0.170
R-free0.20705
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle2.066
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.990
High resolution limit [Å]1.8501.850
Number of reflections14782
<I/σ(I)>18.17.4
Completeness [%]98.782.2
Redundancy5.34.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52770.2 uL + 0.2 uL drops containing 40 mg/mL KRas, 0.1 M TrisCl, 25% polyethylene glycol 4000, 0.2 M NaOAc, 2% benzamidine-HCl, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K

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