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5TNK

Crystal structure of the E153Q mutant of the CFTR inhibitory factor Cif containing the adducted 1,2-Epoxyoctane hydrolysis intermediate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS BEAMLINE X6A
Synchrotron siteNSLS
BeamlineX6A
Temperature [K]100
Detector technologyCCD
Collection date2013-11-11
DetectorADSC QUANTUM 270
Wavelength(s)1.0781
Spacegroup nameC 1 2 1
Unit cell lengths168.207, 84.093, 89.246
Unit cell angles90.00, 100.39, 90.00
Refinement procedure
Resolution19.696 - 1.650
R-factor0.1523
Rwork0.151
R-free0.17570
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3kd2
RMSD bond length0.006
RMSD bond angle0.810
Data reduction softwareXDS (March 30, 2013)
Data scaling softwareXDS (July 4, 2012)
Phasing softwarePHENIX ((1.10_2155: ???))
Refinement softwarePHENIX ((1.10_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]19.6961.700
High resolution limit [Å]1.6501.650
Rmerge0.0720.490
Number of reflections146707
<I/σ(I)>23.144.64
Completeness [%]99.9100
Redundancy7.527.43
CC(1/2)0.9990.918
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5291sodium acetate, pH5 calcium chloride PEG 8000

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