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4PUF

Complex between the Salmonella T3SS effector SlrP and its human target thioredoxin-1

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsESRF BEAMLINE ID29
Synchrotron siteESRF
BeamlineID29
Temperature [K]100
Detector technologyPIXEL
Collection date2010-11-19
DetectorPSI PILATUS 6M
Wavelength(s)0.979138
Spacegroup nameP 21 21 21
Unit cell lengths106.290, 134.830, 154.620
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.854 - 3.296
R-factor0.2735
Rwork0.272
R-free0.30840
Structure solution methodSAD
RMSD bond length0.003
RMSD bond angle0.785
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwareSHELXS
Refinement softwarePHENIX ((phenix.refine: 1.8_1069))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]45.0003.490
High resolution limit [Å]3.2963.290
Number of reflections34042
<I/σ(I)>16.842.83
Completeness [%]99.498.1
Redundancy4.44.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION7.829115% PEG 4000, 0.2M NaCl, 0.1M MgCl2, 0.1M Hepes, 216 M SlrP, 430 M Trx1, pH 7.8, VAPOR DIFFUSION, temperature 291K
1VAPOR DIFFUSION7.829115% PEG 4000, 0.2M NaCl, 0.1M MgCl2, 0.1M Hepes, 216 M SlrP, 430 M Trx1, pH 7.8, VAPOR DIFFUSION, temperature 291K

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