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8X6Y

Crystal structure of EfCDA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL18U1
Synchrotron siteSSRF
BeamlineBL18U1
Temperature [K]100
Detector technologyPIXEL
Collection date2022-08-18
DetectorDECTRIS PILATUS 6M
Wavelength(s)0.987
Spacegroup nameP 2 21 21
Unit cell lengths54.349, 55.749, 82.159
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.250 - 1.560
R-factor0.1532
Rwork0.152
R-free0.17400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)AlphaFold
RMSD bond length0.008
RMSD bond angle1.088
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX (1.18.2_3874)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.590
High resolution limit [Å]1.5601.560
Rmerge0.1240.194
Number of reflections360931738
<I/σ(I)>43.4
Completeness [%]99.1
Redundancy12.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2900.1 M sodium cacodylate, pH 6.5, 20% PEG 4000

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