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6FFT

Neutron structure of human transthyretin (TTR) S52P mutant in complex with tafamidis at room temperature to 2A resolution (quasi-Laue)

Experimental procedure
Experimental methodLAUE
Source typeNUCLEAR REACTOR
Source detailsILL BEAMLINE LADI III
Synchrotron siteILL
BeamlineLADI III
Temperature [K]293
Detector technologyIMAGE PLATE
Collection date2017-03-01
DetectorLADI III
Wavelength(s)2.7-3.6
Spacegroup nameP 21 21 2
Unit cell lengths43.901, 85.703, 65.540
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.866 - 2.000
R-factor0.2363
Rwork0.231
R-free0.28010
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5clx
RMSD bond length0.017
RMSD bond angle1.975
Data reduction softwareLAUEGEN
Data scaling softwareLSCALE
Phasing softwareREFMAC
Refinement softwarePHENIX ((1.10.1_2155: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.9002.110
High resolution limit [Å]2.0002.000
Rmerge0.1210.208
Rpim0.0700.151
Number of reflections172251364
<I/σ(I)>64
Completeness [%]71.956.3
Redundancy2.62.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2932.3M sodium malonate pD 5.9
1VAPOR DIFFUSION, SITTING DROP2932.3M sodium malonate pD 5.9

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