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4OF4

X-ray structure of unliganded uridine phosphorylase from Yersinia pseudotuberculosis at 1.4 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, DESY BEAMLINE P11
Synchrotron sitePETRA III, DESY
BeamlineP11
Temperature [K]100
Detector technologyPIXEL
Collection date2013-12-05
DetectorPSI PILATUS 6M
Wavelength(s)1.000
Spacegroup nameH 3
Unit cell lengths150.949, 150.949, 46.231
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution75.470 - 1.400
R-factor0.1541
Rwork0.152
R-free0.18380
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4i2v
RMSD bond length0.007
RMSD bond angle1.165
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.20)
Phasing softwarePHASER (2.3.0)
Refinement softwareREFMAC (5.5.0109)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]75.47543.5861.480
High resolution limit [Å]1.4004.4301.400
Rmerge0.0470.626
Rpim0.0230.319
Total number of observations1233453029
Number of reflections76922
<I/σ(I)>14.737.82.6
Completeness [%]99.810099
Redundancy4.95.14.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.82771M TRIS, 5% W/V PGA-LM, 20% W/V PEG 2000 MME, pH 7.8, VAPOR DIFFUSION, temperature 277K

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