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4DWZ

Crystal Structure of Ton_0340

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPAL/PLS BEAMLINE 4A
Synchrotron sitePAL/PLS
Beamline4A
Temperature [K]110
Detector technologyCCD
Collection date2010-10-23
DetectorADSC QUANTUM 315r
Wavelength(s)1.2822
Spacegroup nameP 43 21 2
Unit cell lengths107.442, 107.442, 355.031
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.920 - 2.700
Rwork0.223
R-free0.27010
Structure solution methodSAD
RMSD bond length0.008
RMSD bond angle1.400
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareSHELXS
Refinement softwareCNS (1.3)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.750
High resolution limit [Å]2.7002.700
Rmerge0.364
Number of reflections57476
<I/σ(I)>40.1254.286
Completeness [%]98.698.4
Redundancy1811
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.5293.150.1M sodium acetate pH 5.5, 0.35M zinc acetate, 5% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K

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