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5NZ2

Twist and induce: Dissecting the link between the enzymatic activity and the SaPI inducing capacity of the phage 80 dUTPase. D95E mutant from dUTPase 80alpha phage.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2013-07-01
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.97949
Spacegroup nameP 21 3
Unit cell lengths87.192, 87.192, 87.192
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution38.990 - 2.850
R-factor0.2307
Rwork0.228
R-free0.27753
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3zez
RMSD bond length0.006
RMSD bond angle1.040
Data reduction softwareXDS
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0135)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]38.9903.000
High resolution limit [Å]2.8502.850
Rmerge0.1020.394
Number of reflections5130740
<I/σ(I)>5.2
Completeness [%]96.196.1
Redundancy2.22.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.229632% Etanol, 2% PEG 1000, 0.1M phosphate citrate pH 4.2

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