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2Q68

Crystal Structure of Nak channel D66A, S70E double mutants

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2006-07-13
DetectorSBC-3
Wavelength(s)0.9790
Spacegroup nameC 2 2 21
Unit cell lengths82.310, 85.244, 130.212
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.500
Rwork0.241
R-free0.26200
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2ahz
RMSD bond length0.007
RMSD bond angle1.086
Data reduction softwareHKL-3000
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.590
High resolution limit [Å]2.5005.3802.500
Rmerge0.0420.0230.594
Number of reflections15626
<I/σ(I)>13.2
Completeness [%]96.197.590.8
Redundancy5.15.84
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP8298200 mM CaCl2, 100 mM Tris-HCl, 37-42% PEG400, 4% t-Butanol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K

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