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1LJX

THE STRUCTURE OF D(TPGPCPGPCPA)2 AT 293K: COMPARISON OF THE EFFECT OF SEQUENCE AND TEMPERATURE

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU RU200
Temperature [K]293
Detector technologyAREA DETECTOR
Collection date1998-04-15
DetectorMARRESEARCH
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths21.182, 28.363, 44.440
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution19.000 - 1.640
R-factor0.212

*

Rwork0.212
R-free0.26800

*

Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1DCG with its terminal bases modified
Data reduction softwareAUTOMAR
Phasing softwareAMoRE
Refinement softwareCNS
Data quality characteristics
 Overall
Low resolution limit [Å]19.000
High resolution limit [Å]1.600

*

Rmerge0.040

*

Number of reflections3468
Completeness [%]97.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7293cacodylate, MgCl2, cobalt hexaamine chloride, MPD, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Crystallization Reagents
IDcrystal IDsolution IDreagent nameconcentrationdetails
111cacodylate
211MgCl2
311cobalt hexaamine chloride
411MPD
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropDNA10 (mM)pH7.0
21dropcobalt hexammine chloride150 (mM)
31drop25 (mM)
41reservoirmethyl pentanediol35 (%)

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