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7Y78

Crystal structure of Cry78Aa

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2018-10-20
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.9789
Spacegroup nameP 2 21 21
Unit cell lengths66.936, 132.741, 314.680
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.780 - 2.900
R-factor0.2793
Rwork0.279
R-free0.28220
Structure solution methodSAD
RMSD bond length0.008
RMSD bond angle0.727
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX (1.19.1_4122)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.970
High resolution limit [Å]2.9002.900
Rmerge0.1020.702
Rmeas0.1110.761
Rpim0.0430.292
Number of reflections631024303
<I/σ(I)>12.62.7
Completeness [%]99.693.3
Redundancy6.66.6
CC(1/2)0.9960.933
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP291.15Tris-HCl, PEG3350, ammonium chloride

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