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3V0D

Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(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 date2009-12-04
DetectorADSC QUANTUM 315r
Wavelength(s)1.1158
Spacegroup nameP 1 21 1
Unit cell lengths50.967, 85.706, 84.327
Unit cell angles90.00, 90.96, 90.00
Refinement procedure
Resolution84.320 - 1.100
R-factor0.14095
Rwork0.140
R-free0.16073
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1d5r
RMSD bond length0.011
RMSD bond angle1.472
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]86.0001.120
High resolution limit [Å]1.1001.100
Rmerge0.0540.475
Number of reflections291443
<I/σ(I)>2.2
Completeness [%]99.696.9
Redundancy4.22.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP827717.5-22.5% PEG 2000, 0.1 M ammonium dihydrophosphate, 0.1 M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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