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3LTR

5-OMe-dU containing DNA 8mer

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X12C
Synchrotron siteNSLS
BeamlineX12C
Temperature [K]99
Detector technologyCCD
Collection date2009-07-15
DetectorADSC QUANTUM 210
Wavelength(s)0.9795
Spacegroup nameP 43 21 2
Unit cell lengths42.992, 42.992, 23.822
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.400 - 1.300
R-factor0.2026
Rwork0.202
R-free0.22240
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1dns
RMSD bond length0.006
RMSD bond angle1.251
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASES
Refinement softwareREFMAC (5.2.0019)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.350
High resolution limit [Å]1.3001.300
Rmerge0.0600.381
Number of reflections5389
<I/σ(I)>36.72
Completeness [%]91.058.1
Redundancy21.55.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP629310% v / v MPD, 40 mM Na Cacodylate pH 6.0,12 mM Spermine tetra-HCl, 80 mM Sodium Chloride, 20 mM Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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