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Crystal structure of IQSEC1-IQ motif, Sec7PH tandem in complex with calmodulin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-09-23
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97891
Spacegroup nameP 21 21 21
Unit cell lengths67.010, 81.436, 124.762
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution49.522 - 1.998
R-factor0.200412394071
Rwork0.198
R-free0.25231
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4c0a
RMSD bond length0.007
RMSD bond angle0.778
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX (1.11.1_2575)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.030
High resolution limit [Å]1.9002.000
Rmerge0.068
Number of reflections469592345
<I/σ(I)>27.36
Completeness [%]99.8100
Redundancy10.110.3
CC(1/2)0.9880.940
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.5289.150.1M HEPES pH 7.5, 4% w/v Polyethylene glycol 8000

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