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3N23

Crystal structure of the high affinity complex between ouabain and the E2P form of the sodium-potassium pump

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
Collection date2009-11-18
DetectorADSC QUANTUM 315r
Wavelength(s)0.976
Spacegroup nameP 21 21 21
Unit cell lengths117.160, 118.930, 494.100
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution39.554 - 4.600
R-factor0.273
Rwork0.272
R-free0.30200
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle0.895
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0004.800
High resolution limit [Å]4.6004.600
Number of reflections39359
<I/σ(I)>10.852.06
Completeness [%]99.899.9
Redundancy8.58.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.229216% PEG 2000 MME, 10% glycerol, 0.2M magnesium chloride, 100mM MES, 1.5mM N-decanoylsucrose, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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