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6ACI

Crystal structure of EPEC effector NleB in complex with FADD death domain

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL17U
Synchrotron siteSSRF
BeamlineBL17U
Temperature [K]93
Detector technologyCCD
Collection date2013-11-09
DetectorADSC QUANTUM 315r
Wavelength(s)0.97899
Spacegroup nameP 31 2 1
Unit cell lengths84.590, 84.590, 145.881
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution36.589 - 1.870
R-factor0.1666
Rwork0.164
R-free0.20940
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6e66
RMSD bond length0.017
RMSD bond angle1.603
Data reduction softwareiMOSFLM
Data scaling softwareSCALA
Phasing softwarePHASER
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]36.6301.970
High resolution limit [Å]1.8701.870
Rmerge0.0910.473
Number of reflections504307314
<I/σ(I)>16.35.5
Completeness [%]99.6100
Redundancy10.410.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52934.5 M Sodium chloride, 100 mM HEPES pH 7.5

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