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1Z7I

2'-Me-Se Derivitation of A-DNA Octamer G(UMSe)GTACAC

Experimental procedure
Experimental methodMAD
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X12C
Synchrotron siteNSLS
BeamlineX12C
Temperature [K]273
Detector technologyCCD
Collection date2004-02-13
DetectorBRANDEIS - B4
Wavelength(s)0.979, 0.9794, 0.940, 0.920
Spacegroup nameP 43 21 2
Unit cell lengths42.076, 42.076, 23.935
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.810 - 1.280
R-factor0.177
Rwork0.177
R-free0.20000
Structure solution methodMAD, MOLECULAR REPLACEMENT
RMSD bond length0.012
RMSD bond angle1.800
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.300
High resolution limit [Å]1.2801.280
Rmerge0.080
Number of reflections6029
<I/σ(I)>14.8
Completeness [%]95.370
Redundancy12.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP629810% v/v MPD, 40 mM Sodium Cacodylate (pH 6.0), 12 mM Spermine tetra-HCl, 80 mM Sodium Chloride, 20 mM Magnesium Chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111MPD
1012Magnesium Chloride
211Sodium Cacodylate
311Spermine tetra-HCl
411Sodium Chloride
511Magnesium Chloride
611H2O
712MPD
812Sodium Cacodylate
912Sodium Chloride

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