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5SUG

PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P03H05 from the F2X-Universal Library

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX IV BEAMLINE BioMAX
Synchrotron siteMAX IV
BeamlineBioMAX
Temperature [K]100
Detector technologyPIXEL
Collection date2020-06-12
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.999900
Spacegroup nameC 1 2 1
Unit cell lengths88.619, 81.882, 93.526
Unit cell angles90.00, 108.49, 90.00
Refinement procedure
Resolution44.350 - 1.530
R-factor0.2058
Rwork0.205
R-free0.23600
Structure solution methodFOURIER SYNTHESIS
Data reduction softwareXDS (Jan 10, 2022)
Data scaling softwareAimless
Phasing softwarePHENIX (1.17.1_3660)
Refinement softwarePHENIX (1.17.1_3660)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]44.35044.35044.350
High resolution limit [Å]1.5304.5501.520
Rmerge0.0312.538
Rmeas0.0550.0342.736
Total number of observations65797925469100460
Number of reflections93929371914306
<I/σ(I)>14.5456.320.42
Completeness [%]97.299.391.8
Redundancy7.016.857.02
CC(1/2)0.9990.9990.319
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.529319% PEG4000, 3% DMSO, 0.1 M Tris, pH 8.5, 0.2 M lithium sulfate

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