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6S73

Crystal structure of Nek7 SRS mutant bound to compound 51

Replaces:  6GT1
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]80
Detector technologyPIXEL
Collection date2014-11-20
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.987
Spacegroup nameP 1 21 1
Unit cell lengths49.420, 169.082, 83.730
Unit cell angles90.00, 92.81, 90.00
Refinement procedure
Resolution83.630 - 3.500
R-factor0.237
Rwork0.235
R-free0.27110
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6GT1
RMSD bond length0.002
RMSD bond angle0.482
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]83.6303.720
High resolution limit [Å]3.5003.500
Rmerge0.176
Number of reflections172921698
<I/σ(I)>4.9
Completeness [%]99.1
Redundancy3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52910.02 M Sodium/potassium phosphate, 0.1 M Bis-Tris propane pH 6.5, 20 % w/v PEG 3350

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