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7ZRQ

1.68 Angstrom crystal structure of Ca/CaM-E140G:CaMKIIdelta peptide complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2020-12-11
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.9795
Spacegroup nameP 21 21 21
Unit cell lengths41.380, 54.520, 57.500
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.590 - 1.680
Rwork0.205
R-free0.24390
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2wel
RMSD bond length0.008
RMSD bond angle1.366
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0350)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]39.5901.710
High resolution limit [Å]1.6801.680
Rmerge0.0482.042
Rmeas0.0572.522
Rpim0.0301.452
Number of reflections15287684
<I/σ(I)>13.50.6
Completeness [%]99.187.8
Redundancy6.34.6
CC(1/2)1.0000.311
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2920.1 M Na+-HEPES, 0.1 M MOPS (acid), pH 7.5, 0.03 M magnesium chloride hexahydrate, 0.03 M calcium chloride dihydrate, 12.5% v/v MPD; 12.5% PEG 1000; 12.5% w/v PEG 3350

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