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4NSB

Crystal structure of the complex of signaling glycoprotein, SPB-40 and N-acetyl salicylic acid at 3.05 A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE BM14
Synchrotron siteESRF
BeamlineBM14
Temperature [K]77
Detector technologyCCD
Collection date2013-07-19
DetectorMARRESEARCH
Wavelength(s)0.97
Spacegroup nameP 21 21 21
Unit cell lengths60.742, 66.922, 106.660
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.710 - 3.050
R-factor0.231
Rwork0.231
R-free0.25400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2o9o
RMSD bond length0.011
RMSD bond angle1.800
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]56.6903.100
High resolution limit [Å]3.0503.050
Number of reflections8058
<I/σ(I)>11.83.7
Completeness [%]98.399.1
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP829825mM Tris, 50mM NaCl, 20% ethanol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

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