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4RES

Crystal structure of the Na,K-ATPase E2P-bufalin complex with bound potassium

Replaces:  3N2F
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2009-10-12
DetectorPSI PILATUS 6M
Wavelength(s)1.000
Spacegroup nameP 1 21 1
Unit cell lengths65.910, 240.270, 152.700
Unit cell angles90.00, 102.28, 90.00
Refinement procedure
Resolution49.903 - 3.408
R-factor0.247
Rwork0.245
R-free0.28820
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4hyt
RMSD bond length0.011
RMSD bond angle1.225
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: 1.8.2_1309))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]55.0003.500
High resolution limit [Å]3.4083.408
Number of reflections31754
<I/σ(I)>10.42.24
Completeness [%]50.21.4
Redundancy5.95.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.229217% PEG2000 MME, 10% glycerol, 220 mM magnesium chloride, 100 mM potassium chloride, 100 mM MES-KOH, pH 6.2, 5% MPD, 6% Jeffamine M-600, 0.02% beta-DDM, 2 mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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