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8A6F

Small molecule stabilizer (compound 8) for C-RAF and 14-3-3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, DESY BEAMLINE P11
Synchrotron sitePETRA III, DESY
BeamlineP11
Temperature [K]100
Detector technologyPIXEL
Collection date2021-11-04
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.03320
Spacegroup nameC 2 2 21
Unit cell lengths82.944, 112.909, 62.794
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution45.770 - 1.600
R-factor0.1632
Rwork0.162
R-free0.18090
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3iqu
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.7701.630
High resolution limit [Å]1.6001.600
Number of reflections5070541906
<I/σ(I)>14.6
Completeness [%]100.0
Redundancy12.9
CC(1/2)0.9960.437
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.095 M HEPES pH 7.5, 0.19 M CaCl2, 26% (v/v) PEG 400 and 5% (v/v) glycerol

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