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5KCI

Crystal Structure of HTC1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-D
Synchrotron siteAPS
Beamline21-ID-D
Temperature [K]100
Detector technologyCCD
Collection date2015-02-18
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97851
Spacegroup nameP 43 21 2
Unit cell lengths62.460, 62.460, 117.580
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution42.810 - 1.833
R-factor0.2059
Rwork0.201
R-free0.25280
Structure solution methodSAD
RMSD bond length0.009
RMSD bond angle0.888
Data reduction softwareiMOSFLM
Data scaling softwareAimless
Phasing softwarePHASER
Refinement softwarePHENIX ((1.10.1_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]42.8101.890
High resolution limit [Å]1.8301.830
Rmerge0.683
Number of reflections21161
<I/σ(I)>12.72
Completeness [%]100.0100
Redundancy7.87.7
CC(1/2)0.873
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION2935.6-8.1% glycerol, 1.6-2.1 M ammonium sulfate, 0.1-0.2 M Tris.

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