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8YUF

Crystal structure of HEPN (Q64A) toxin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPHOTON FACTORY BEAMLINE BL-1A
Synchrotron sitePhoton Factory
BeamlineBL-1A
Temperature [K]100
Detector technologyPIXEL
Collection date2024-02-18
DetectorDECTRIS EIGER X 4M
Wavelength(s)1.02
Spacegroup nameP 21 21 21
Unit cell lengths43.774, 43.772, 163.302
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.280 - 1.590
R-factor0.1893
Rwork0.188
R-free0.21400
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle0.843
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHENIX
Refinement softwarePHENIX (1.21_5207)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.7701.690
High resolution limit [Å]1.5901.590
Number of reflections673038590
<I/σ(I)>11.8
Completeness [%]83.0
Redundancy4.06
CC(1/2)0.9970.862
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2930.2M Lithium acetate dehydrate, 20% PEG 3350

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