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1RRY

DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]100
Detector technologyCCD
DetectorMARRESEARCH
Wavelength(s)1.54
Spacegroup nameI 4 2 2
Unit cell lengths60.947, 60.947, 123.689
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.360 - 2.700
Rwork0.229
R-free0.30500
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.006
RMSD bond angle1.200
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareCNX (2000)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.5602.870
High resolution limit [Å]2.7002.700
Number of reflections2816
Completeness [%]81.485.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.62890.2 M Ammonium Acetate, 0.1 M tri-sodium citrate pH 5.6, 30% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 289K

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PDB entries from 2024-03-27

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