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1G75

MOLECULAR AND CRYSTAL STRUCTURE OF D(CGCGAATF5UCGCG): 5-FORMYLURIDINE/ ADENOSINE BASE-PAIRS IN B-DNA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-18B
Synchrotron sitePhoton Factory
BeamlineBL-18B
Temperature [K]100
Detector technologyDIFFRACTOMETER
Collection date2000-06-03
DetectorWEISSENBERG
Wavelength(s)1.0
Spacegroup nameP 21 21 21
Unit cell lengths25.800, 39.300, 65.000
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 1.570
R-factor0.21

*

Rwork0.210
R-free0.23600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)355d
RMSD bond length0.004
RMSD bond angle0.800
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.600
High resolution limit [Å]1.5701.570
Rmerge0.0310.266
Total number of observations90663

*

Number of reflections9502
Completeness [%]97.189.9
Redundancy9.54
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

6.5277MPD, spermine, magnesium chloride, potassium chloride, sodium chloride, cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111MPD
211spermine
311MgCl2
411KCl
511NaCl
611cacodylate
712MPD
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropDNA0.5 (mM)
21dropsodium cacodylate20 (mM)
31dropspermine tetra-HCl6 (mM)
41drop6 (mM)
51drop6 (mM)
61drop60 (mM)
71drop5 (%)
81reservoirMPD40 (%)

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PDB entries from 2024-04-24

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