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371D

STRUCTURAL VARIABILITY OF A-DNA IN CRYSTALS OF THE OCTAMER D(PCPCPCPGPCPGPGPG)

Experimental procedure
Source typeROTATING ANODE
Source detailsELLIOTT GX-21
Temperature [K]293
Detector technologyIMAGE PLATE
Collection date1996-01-01
DetectorMARRESEARCH
Spacegroup nameP 21 21 21
Unit cell lengths24.630, 40.590, 42.490
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution8.000 - 1.900
R-factor0.19

*

Rwork0.190
R-free0.25300
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle8.230

*

Data reduction softwareMARXDS
Data scaling softwareMARSCALE
Phasing softwareAMoRE
Refinement softwareX-PLOR (3.1)
Data quality characteristics
 Overall
Low resolution limit [Å]20.000
High resolution limit [Å]1.900
Rmerge0.032
Number of reflections3272
Completeness [%]99.1
Redundancy5.765
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Vapor diffusion, hanging drop

*

6pH 6.00
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111WATER
211SPERMINE
311MPD
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dNa-cacodylate25 (mM)
21dropduplex1.0 (mM)
31dropspermine2.0 (mM)
41reservoirMPD25.0 (%)

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