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5R1T

PanDDA analysis group deposition -- Endothiapepsin in complex with fragment F2X-Entry A07, DMSO-free

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX IV BEAMLINE BioMAX
Synchrotron siteMAX IV
BeamlineBioMAX
Temperature [K]100
Detector technologyPIXEL
Collection date2019-03-30
DetectorDECTRIS EIGER X 16M
Wavelength(s)0.827
Spacegroup nameP 1 21 1
Unit cell lengths45.157, 73.595, 52.480
Unit cell angles90.00, 109.03, 90.00
Refinement procedure
Resolution42.690 - 1.187
R-factor0.1539
Rwork0.153
R-free0.17100
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]42.69050.0001.260
High resolution limit [Å]1.1903.5401.180
Rmerge0.0660.0302.920
Rmeas0.0710.0323.164
Total number of observations700887
Number of reflections104124401615917
<I/σ(I)>12.0754.230.6
Completeness [%]98.80.9960.935
Redundancy6.7216.816.22
CC(1/2)0.9990.9990.274
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP4.62900.1 M ammonium acetate, 0.1 M sodium acetate, 24-30% PEG4000

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