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Crystal structure of the ctcP from Streptomyces aureofaciens

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U1
Synchrotron siteSSRF
BeamlineBL17U1
Temperature [K]100
Detector technologyCCD
Collection date2011-01-01
DetectorADSC QUANTUM 315r
Wavelength(s)0.97923
Spacegroup nameP 2 21 21
Unit cell lengths116.393, 121.281, 179.194
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution48.800 - 2.700
R-factor0.1777
Rwork0.176
R-free0.22430
Structure solution methodSAD
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.19)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.800
High resolution limit [Å]2.7005.8102.700
Rmerge0.1770.0820.812
Total number of observations1038277
Number of reflections7027173816909
<I/σ(I)>8.1
Completeness [%]100.0100100
Redundancy14.81414.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2910.1M BIS-TRIS pH 6.0, 0.2M Magnesium sulfate heptahydrate, 20% w/v Polyethylene glycol 3350

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