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4MAV

Crystal structure of signaling protein SPB-40 complexed with 5-hydroxymethyl oxalanetriol at 2.80 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 lengths60.809, 66.943, 106.540
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution41.720 - 2.790
R-factor0.18239
Rwork0.182
R-free0.23391
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2o9o
RMSD bond length0.012
RMSD bond angle1.861
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.850
High resolution limit [Å]2.7902.800
Number of reflections11280
<I/σ(I)>16.64.1
Completeness [%]100.0100
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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