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6UCX

S2 symmetric peptide design number 1, Wednesday

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 24-ID-C
Synchrotron siteAPS
Beamline24-ID-C
Temperature [K]100
Detector technologyPIXEL
Collection date2017-07-18
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)0.8856
Spacegroup nameP 1 21/c 1
Unit cell lengths12.580, 29.810, 15.260
Unit cell angles90.00, 94.21, 90.00
Refinement procedure
Resolution14.900 - 0.850
Rwork0.076
R-free0.08500
Structure solution methodAB INITIO PHASING
RMSD bond length0.020
Data reduction softwareXDS (20170601)
Data scaling softwareXSCALE (20170601)
Phasing softwareSHELXT
Refinement softwareSHELXT (2018/3)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]14.90014.9000.870
High resolution limit [Å]0.8503.8100.850
Rmerge0.0400.0340.140
Rmeas0.0440.0360.171
Number of reflections7989105196
<I/σ(I)>22.8145.725.28
Completeness [%]82.410028
Redundancy6.2517.0572.724
CC(1/2)0.9991.0000.987
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP52983.2 M ammonium sulfate, 0.1 M citrate pH 5.0

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