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6JXJ

Rb+-bound E2-AlF state of the gastric proton pump (Tyr799Trp)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]80
Detector technologyPIXEL
Collection date2018-05-14
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameP 31 2 1
Unit cell lengths103.230, 103.230, 369.440
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution49.710 - 2.500
R-factor0.2175
Rwork0.214
R-free0.27310
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5ylu
RMSD bond length0.009
RMSD bond angle1.212
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.600
High resolution limit [Å]2.5002.500
Number of reflections6101461013
<I/σ(I)>11.640.77
Completeness [%]76.0
Redundancy8
CC(1/2)0.9900.600
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.529310% glycerol, 20% PEG2000MME, 0.4 M RbCl, 3% methylpentanediol, 5 mM beta-mercaptoethanol

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