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3TEX

Crystal Structure of Anthrax Protective Antigen (Membrane Insertion Loop Deleted) to 1.7-A resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 8.3.1
Synchrotron siteALS
Beamline8.3.1
Temperature [K]100
Detector technologyCCD
Collection date2011-05-11
DetectorADSC QUANTUM 315r
Wavelength(s)1.1159
Spacegroup nameP 21 21 21
Unit cell lengths71.396, 93.937, 117.848
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution9.986 - 1.700
R-factor0.1943
Rwork0.194
R-free0.21660
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.053
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwarePHENIX ((phenix.refine: 1.7_650))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]9.9901.750
High resolution limit [Å]1.7001.700
Rmerge0.0850.855
Number of reflections87171
<I/σ(I)>22.12.1
Completeness [%]99.880
Redundancy8.17.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.529230% (15/4 EO/OH), 0.05M bis-tris-Cl, 0.05M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K

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