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6NSS

TRK-A IN COMPLEX WITH LIGAND 6

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSLS BEAMLINE X06SA
Synchrotron siteSLS
BeamlineX06SA
Temperature [K]100
Detector technologyPIXEL
Collection date2015-11-20
DetectorDECTRIS EIGER X 16M
Wavelength(s)1.0
Spacegroup nameP 31 1 2
Unit cell lengths52.075, 52.075, 227.072
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution45.140 - 1.970
R-factor0.18362
Rwork0.181
R-free0.21805
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.015
RMSD bond angle1.880
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]75.6902.220
High resolution limit [Å]1.9701.970
Rmerge0.0540.427
Number of reflections2537425374
<I/σ(I)>18.74
Completeness [%]99.498.6
Redundancy4.24.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2770.10M KH2PO4/ 0.10M NaH2PO4/ 0.1M MES/NaOH pH = 6.00 and 1.9M NaCl (cryo: 25% glycerol in reservoir), or 18% (w/v) PEG 3350, 0.2M CaCl2, 0.10M, MES pH = 6.50 (cryo: direct).

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