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5UBG

Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni with bound Phosphoribosyl-ATP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron siteAustralian Synchrotron
BeamlineMX1
Temperature [K]80
Detector technologyCCD
Collection date2014-04-02
DetectorADSC QUANTUM 210r
Wavelength(s)0.959
Spacegroup nameP 21 21 21
Unit cell lengths67.458, 80.460, 92.728
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.550 - 1.900
R-factor0.19764
Rwork0.196
R-free0.22902
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)single chain of PDB 5UB9
RMSD bond length0.009
RMSD bond angle1.431
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]34.5501.940
High resolution limit [Å]1.9001.900
Rmerge0.0670.910
Number of reflections40502
<I/σ(I)>23.93.2
Completeness [%]99.897.1
Redundancy10.810.5
CC(1/2)1.0000.769
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5293.150.1 M sodium acetate pH 5.0, 0.01 M ZnCl2, 7-10% PEG 6000, formed crystals soaked with 5 mM PR-ATP for 30-60 min

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