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7C7I

Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U1
Synchrotron siteSSRF
BeamlineBL17U1
Temperature [K]100
Detector technologyCCD
Collection date2019-06-05
DetectorADSC QUANTUM 315r
Wavelength(s)0.97891
Spacegroup nameP 21 21 21
Unit cell lengths48.502, 55.619, 189.884
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.900 - 2.280
R-factor0.1752
Rwork0.172
R-free0.24650
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5g4x 4dxa
RMSD bond length0.007
RMSD bond angle0.970
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.15.2_3472)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.340
High resolution limit [Å]2.2802.300
Rmerge0.1530.835
Number of reflections237771181
<I/σ(I)>13.9
Completeness [%]98.4
Redundancy8.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP28914.4% (w/v) PEG 8000, Sodium cacodylate/Hydrochloric acid (pH 6.5), 160 mM Calcium acetate, 20% (v/v) Glycerol

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