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5R1D

PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 28, DMSO-free

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsBESSY BEAMLINE 14.2
Synchrotron siteBESSY
Beamline14.2
Temperature [K]100
Detector technologyPIXEL
Collection date2019-11-29
DetectorDECTRIS PILATUS3 2M
Wavelength(s)0.827
Spacegroup nameC 1 2 1
Unit cell lengths89.052, 82.645, 92.874
Unit cell angles90.00, 107.98, 90.00
Refinement procedure
Resolution22.660 - 1.820
R-factor0.2185
Rwork0.216
R-free0.26920
Structure solution methodFOURIER SYNTHESIS
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]22.66050.0001.930
High resolution limit [Å]1.8205.4201.820
Rmerge0.0420.0252.161
Rmeas0.0460.0272.338
Total number of observations392217
Number of reflections5738822349150
<I/σ(I)>20.3477.080.8
Completeness [%]99.70.9930.987
Redundancy6.8267.266.81
CC(1/2)1.0000.9990.423
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8.52930.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG 4000

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