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3NBQ

Human uridine phosphorylase 1 (hUPP1) with 5-fluorouracil

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL7-1
Synchrotron siteSSRL
BeamlineBL7-1
Temperature [K]100
Detector technologyCCD
Collection date2010-02-18
DetectorADSC QUANTUM 315
Wavelength(s)0.98
Spacegroup nameP 21 21 21
Unit cell lengths61.317, 85.281, 260.581
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.440 - 2.300
R-factor0.225
Rwork0.222
R-free0.27700
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.297
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.380
High resolution limit [Å]2.3004.9502.300
Rmerge0.0590.0330.247
Number of reflections58528
<I/σ(I)>13.4
Completeness [%]94.199.367.4
Redundancy3.63.82.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.529817% PEG 3350, 100mM Bis-Tris buffer pH 5.5, 160mM magnesium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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