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2X2Q

Crystal structure of an 'all locked' LNA duplex at 1.9 angstrom resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsELETTRA BEAMLINE 5.2R
Synchrotron siteELETTRA
Beamline5.2R
Temperature [K]100
Detector technologyCCD
Collection date2009-05-08
DetectorMARRESEARCH
Spacegroup nameC 1 2 1
Unit cell lengths77.913, 40.737, 30.059
Unit cell angles90.00, 91.02, 90.00
Refinement procedure
Resolution38.950 - 1.900
R-factor0.22551
Rwork0.224
R-free0.26370
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3gvn
RMSD bond length0.016
RMSD bond angle3.371
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.9501.930
High resolution limit [Å]1.9001.900
Rmerge0.0700.220
Number of reflections7382
<I/σ(I)>19.71
Completeness [%]98.097.2
Redundancy4.83.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
15.540 MM SODIUM CACODYLATE (PH 5.5), 20 MM COBALT HEXAMMINE, 80 MM SODIUM CHLORIDE, 20 MM MAGNESIUM CHLORIDE, 10% (V/V) MPD EQILIBRATED AGAINST 35% (V/V) MPD (PH 7.4)

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