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9GDF

Chloride bound structure of oxidized ba3-type cytochrome c oxidase confirmed by single-wavelength anomalous diffraction

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMAX IV BEAMLINE BioMAX
Synchrotron siteMAX IV
BeamlineBioMAX
Temperature [K]100
Detector technologyPIXEL
Collection date2023-02-10
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.9997
Spacegroup nameC 1 2 1
Unit cell lengths143.688, 98.340, 94.085
Unit cell angles90.00, 127.58, 90.00
Refinement procedure
Resolution74.540 - 2.280
R-factor0.15527
Rwork0.153
R-free0.19652
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.704
Data reduction softwareautoPROC
Data scaling softwareSTARANISO
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0419)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]74.5402.360
High resolution limit [Å]2.2802.280
Number of reflections446432943
<I/σ(I)>18
Completeness [%]94.4
Redundancy9.2
CC(1/2)0.9980.727
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1LIPIDIC CUBIC PHASE5.32981.4 M NaCl, 100 mM MES. 40-43 % (v/v) PEG 400

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