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4J0W

Structure of U3-55K

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]100
Detector technologyCCD
Collection date2011-07-14
DetectorADSC QUANTUM 315
Wavelength(s)0.9792
Spacegroup nameP 43 21 2
Unit cell lengths63.651, 63.651, 167.425
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.700
R-factor0.21102
Rwork0.210
R-free0.23188
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4j0x
RMSD bond length0.007
RMSD bond angle1.123
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.740
High resolution limit [Å]1.7001.700
Rmerge0.1180.718
Number of reflections38893
<I/σ(I)>32.34.7
Completeness [%]100.0100
Redundancy15.716
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION8277100mM HEPES-K, 25% (v/v) ethylene glycol, pH 8.0, VAPOR DIFFUSION, temperature 277K

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