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4AV6

Crystal structure of Thermotoga maritima sodium pumping membrane integral pyrophosphatase at 4 A in complex with phosphate and magnesium

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyCCD
DetectorMARMOSAIC 225 mm CCD
Spacegroup nameP 1 21 1
Unit cell lengths85.800, 112.266, 109.714
Unit cell angles90.00, 103.00, 90.00
Refinement procedure
Resolution29.832 - 4.000
R-factor0.2988
Rwork0.295
R-free0.36500
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)HIGH RESOLUTION RESTING STATE TMPPASE STRUCTURE
RMSD bond length0.010
RMSD bond angle2.169
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwarePHENIX ((PHENIX.REFINE))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0004.220
High resolution limit [Å]4.0004.000
Rmerge0.0900.970
Number of reflections17075
<I/σ(I)>8.851.82
Completeness [%]98.296.8
Redundancy4.33.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
135% PEG 400, 50 MM TRIS PH 8.0, 50 MM LISO4, 50 MM NASO4

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