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9CKS

Human G protein-coupled receptor kinase 5-D311N in complex with ATP and manganese ion

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-B
Synchrotron siteAPS
Beamline23-ID-B
Temperature [K]277
Detector technologyPIXEL
Collection date2023-02-08
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.03317
Spacegroup nameP 41 21 2
Unit cell lengths137.825, 137.825, 71.289
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution29.560 - 3.080
R-factor0.2282
Rwork0.223
R-free0.28040
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.002
RMSD bond angle0.421
Data reduction softwareDIALS
Data scaling softwarexia2
Phasing softwareMOLREP
Refinement softwarePHENIX (1.21.1_5286)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]63.3203.230
High resolution limit [Å]3.0803.080
Rmerge0.251
Number of reflections132331280
<I/σ(I)>8.3
Completeness [%]100.0
Redundancy13.4
CC(1/2)0.960
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP277crystallized in 200mM potassium citrate tribasic, 20% polyethylene glycol 3350, followed by soaking in 25% polyethylene glycol 3350, 10% Glycerol, 1mM ATP, 500 uM manganese chloride

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