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8QRE

Cholera holotoxin (wildtype)

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID30B
Synchrotron siteESRF
BeamlineID30B
Temperature [K]100
Detector technologyPIXEL
Collection date2021-06-11
DetectorDECTRIS EIGER2 X 9M
Wavelength(s)0.9763
Spacegroup nameP 1 21 1
Unit cell lengths60.659, 108.128, 124.765
Unit cell angles90.00, 95.96, 90.00
Refinement procedure
Resolution124.091 - 2.300
Rwork0.216
R-free0.26290
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.006
RMSD bond angle0.605
Data reduction softwareautoPROC (1.1.7 (20/04/21))
Data scaling softwareAimless (0.7.9 (10/06/22))
Phasing softwarePHASER (2.8.3)
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]124.0912.350
High resolution limit [Å]2.3002.300
Rmerge0.2562.014
Rmeas0.3082.453
Rpim0.1691.382
Number of reflections701694548
<I/σ(I)>4.30.6
Completeness [%]98.699.3
Redundancy3
CC(1/2)0.9700.170
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.4293.15Crystallization mix: 0.125 M Magnesium acetate 24% PEG 3350 300 mM galactose (in protein storage buffer) Protein storage buffer: 50 mM Tris pH 7.4 200 mM NaCl 1 mM EDTA 3 mM sodium azide

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