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5QZ2

PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 17

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX IV BEAMLINE BioMAX
Synchrotron siteMAX IV
BeamlineBioMAX
Temperature [K]100
Detector technologyPIXEL
Collection date2019-06-22
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.827
Spacegroup nameC 1 2 1
Unit cell lengths87.831, 81.601, 93.142
Unit cell angles90.00, 108.38, 90.00
Refinement procedure
Resolution44.420 - 1.540
R-factor0.2216
Rwork0.220
R-free0.22159
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.010
RMSD bond angle1.527
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwareREFMAC (5.8.0238)
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]44.42050.0001.630
High resolution limit [Å]1.5404.5801.540
Rmerge0.0720.0452.743
Rmeas0.0780.0492.971
Total number of observations626079
Number of reflections87625357014389
<I/σ(I)>10.8135.830.61
Completeness [%]99.30.9920.961
Redundancy6.7816.776.46
CC(1/2)0.9980.9980.361
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.529319% (w/v) Peg 4000, 3% (v/v) DMSO, 0.1M Tris-HCl pH 8.5, 0.2M Li2SO4

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