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3KVR

Trapping of an oxocarbenium ion intermediate in UP crystals

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyCCD
Collection date2007-03-16
DetectorADSC QUANTUM 315
Spacegroup nameP 41 21 2
Unit cell lengths82.416, 82.416, 258.592
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution? - 2.600
R-factor0.169
Rwork0.167
R-free0.20500
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.008
RMSD bond angle1.173
Refinement softwarePHENIX
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.000
High resolution limit [Å]2.6002.600
Number of reflections28268
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.329518% PEG5K MME, 140 mM MgCl2, 100 mM MES, pH 6.3, vapor diffusion, hanging drop, temperature 295K

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