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5QTM

PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-2639

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2019-04-22
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.91587
Spacegroup nameP 1
Unit cell lengths49.270, 59.808, 80.068
Unit cell angles79.33, 81.48, 75.66
Refinement procedure
Resolution47.500 - 1.790
R-factor0.2156
Rwork0.214
R-free0.24720
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)6gru
RMSD bond length0.008
RMSD bond angle1.477
Data reduction softwareXDS
Data scaling softwareAimless (0.7.4)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]47.47047.4701.840
High resolution limit [Å]1.7908.0101.790
Rmerge0.0470.0160.966
Rmeas0.0660.0221.366
Rpim0.0470.0160.966
Total number of observations13797116649624
Number of reflections78713
<I/σ(I)>8.8281.5
Completeness [%]96.598.495.6
Redundancy1.81.91.7
CC(1/2)0.9970.9980.322
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8293.1533% PEG4000, 0.2 magnesium chloride, 0.1 M Tris

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