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2ON7

Structure of NaGST-1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2005-10-01
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths48.975, 80.683, 200.744
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.400
R-factor0.19418
Rwork0.190
R-free0.28353
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)PDB 1TW9
RMSD bond length0.017
RMSD bond angle1.750
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASES
Refinement softwareREFMAC (5.2)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0002.200
High resolution limit [Å]2.1002.100
Rmerge0.0730.344
Number of reflections47226
<I/σ(I)>19.32.4
Completeness [%]98.066.6
Redundancy5.72.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.5298PEG, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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