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8YTR

The structure of Cu(II)-CopC from Thioalkalivibrio paradoxus

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL41XU
Synchrotron siteSPring-8
BeamlineBL41XU
Temperature [K]100
Detector technologyPIXEL
Collection date2019-10-12
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.999
Spacegroup nameP 1 21 1
Unit cell lengths28.241, 38.275, 104.666
Unit cell angles90.00, 90.33, 90.00
Refinement procedure
Resolution52.390 - 1.800
R-factor0.18775
Rwork0.186
R-free0.22996
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.011
RMSD bond angle1.971
Data reduction softwareDIALS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]104.6601.840
High resolution limit [Å]1.8001.800
Rmerge0.1290.735
Rmeas0.1400.798
Rpim0.0540.307
Total number of observations1377908112
Number of reflections210851238
<I/σ(I)>6.41.8
Completeness [%]100.0
Redundancy6.56.6
CC(1/2)0.9950.858
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2880.2M Ammonium formate pH 6.6, 20% PEG 3350

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