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2DQS

Crystal structure of the calcium pump with amppcp in the absence of calcium

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]100
Detector technologyCCD
Collection date2006-03-04
DetectorADSC QUANTUM 315
Spacegroup nameP 41 21 2
Unit cell lengths71.421, 71.421, 589.756
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution14.970 - 2.500
R-factor0.234
Rwork0.234
R-free0.27800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2agv
RMSD bond length0.102
RMSD bond angle2.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]99.0002.550
High resolution limit [Å]2.5002.500
Number of reflections54985
<I/σ(I)>34.573.22
Completeness [%]99.699.9
Redundancy8.85.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1MICRODIALYSIS6.1283pH 6.10, MICRODIALYSIS, temperature 283K

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