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4R4X

Structure of PNGF-II in C2 space group

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]196
Detector technologyCCD
Collection date2013-07-02
DetectorADSC QUANTUM 315
Wavelength(s)1.0000
Spacegroup nameC 1 2 1
Unit cell lengths161.400, 55.400, 71.200
Unit cell angles90.00, 102.20, 90.00
Refinement procedure
Resolution29.970 - 1.900
R-factor0.168
Rwork0.165
R-free0.20300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3ks7
RMSD bond length0.010
RMSD bond angle1.386
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.970
High resolution limit [Å]1.9001.900
Rmerge0.099
Number of reflections47585
<I/σ(I)>15.63.02
Completeness [%]97.986.1
Redundancy42.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.528910% PEG4000, 0.01M MgCl2, 0.2M KCl, 0.05M sodium cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

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