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6FAN

Crystal structure of putative CooT from Carboxydothermus hydrogenoformans

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM30A
Synchrotron siteESRF
BeamlineBM30A
Temperature [K]93
Detector technologyCCD
Collection date2017-05-18
DetectorADSC QUANTUM 315r
Wavelength(s)0.979790
Spacegroup nameP 1 21 1
Unit cell lengths41.261, 61.350, 81.118
Unit cell angles90.00, 100.41, 90.00
Refinement procedure
Resolution79.780 - 2.000
R-factor0.23658
Rwork0.235
R-free0.27517
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.016
RMSD bond angle2.096
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]33.8502.100
High resolution limit [Å]2.0002.000
Number of reflections97738
<I/σ(I)>13.41
Completeness [%]97.6
Redundancy1.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29347% (v/v) 2-methylpentane-2,4-diol, 2% (v/v) 2-methyl-2-propanol

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