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6G8I

14-3-3sigma in complex with a R124beta3R mutated YAP pS127 phosphopeptide

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, DESY BEAMLINE P11
Synchrotron sitePETRA III, DESY
BeamlineP11
Temperature [K]100
Detector technologyPIXEL
Collection date2016-07-18
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)1.033200
Spacegroup nameC 2 2 21
Unit cell lengths82.118, 112.170, 62.550
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution56.085 - 1.600
R-factor0.1508
Rwork0.150
R-free0.17340
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3mhr
Data reduction softwareMOSFLM
Data scaling softwareAimless (0.5.31)
Phasing softwarePHASER (2.7.16)
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]66.26066.2601.630
High resolution limit [Å]1.6008.7601.600
Rmerge0.1610.0791.526
Rmeas0.1690.0851.598
Rpim0.0500.0270.468
Total number of observations442277
Number of reflections384952821882
<I/σ(I)>11.4
Completeness [%]100.099.9100
Redundancy11.511.911.5
CC(1/2)0.9790.8770.708
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2770.095 M HEPES pH 7.5, 26% PEG400, 0.19 M CaCl2, 5% glycerol

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