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1HX9

CRYSTAL STRUCTURE OF TEAS W273S FORM 1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsMACSCIENCE
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date1999-05-13
DetectorMAC Science DIP-2020
Spacegroup nameP 41 21 2
Unit cell lengths125.820, 125.820, 122.410
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 3.500
R-factor0.206
Rwork0.206
R-free0.24700
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)5eat
RMSD bond length0.008
RMSD bond angle1.400
Data reduction softwareMACSCIENCE
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.5003.110
High resolution limit [Å]3.0003.000
Number of reflections17178
<I/σ(I)>3.60.84
Completeness [%]85.476.1
Redundancy2.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.927715% PEG 8000, 200 MM MG(OAC)2, 100 MM MOPSO, 1MM DTT, 1 MM 1-HYDROXYFARNESYL PHOSPHONATE, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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