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3V0E

Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 256-576(C363S)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]100
Detector technologyCCD
Collection date2009-10-10
DetectorADSC QUANTUM 315r
Wavelength(s)1.1158
Spacegroup nameP 1 2 1
Unit cell lengths50.849, 38.605, 89.832
Unit cell angles90.00, 103.99, 90.00
Refinement procedure
Resolution87.170 - 1.650
R-factor0.17829
Rwork0.177
R-free0.20959
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1d5r
RMSD bond length0.008
RMSD bond angle1.081
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]90.0001.650
High resolution limit [Å]1.6001.600
Rmerge0.0700.672
Number of reflections43750
<I/σ(I)>18.12.4
Completeness [%]97.782.2
Redundancy5.84.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52952.1-2.3 M ammonium sulfate, 0.1 M HEPES, pH 7.0-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

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