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4XPE

Crystal structure of 5'-CTTATGGGCCCATAAG in a host-guest complex

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 23-ID-D
Synchrotron siteAPS
Beamline23-ID-D
Temperature [K]93
Detector technologyPIXEL
Collection date2014-11-16
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.97933
Spacegroup nameP 21 21 2
Unit cell lengths54.623, 145.385, 46.801
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution26.842 - 1.780
R-factor0.2166
Rwork0.215
R-free0.23710
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle1.064
Data scaling softwareAimless (0.3.11)
Phasing softwarePHASER
Refinement softwarePHENIX
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]28.71028.7101.820
High resolution limit [Å]1.7808.9001.780
Rmerge0.0400.0260.388
Rpim0.0200.0130.192
Total number of observations184656153810512
Number of reflections36612
<I/σ(I)>22.754.34.3
Completeness [%]99.997100
Redundancy54.45
CC(1/2)0.9990.9990.928
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293PEG 4000

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