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6Z33

Crystal structure of the ferric enterobactin receptor (PfeA) in complex with BCV

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I03
Synchrotron siteDiamond
BeamlineI03
Temperature [K]100
Detector technologyPIXEL
Collection date2020-03-01
DetectorDECTRIS EIGER2 XE 16M
Wavelength(s)0.97625
Spacegroup nameP 21 21 2
Unit cell lengths85.962, 157.358, 78.077
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution78.679 - 2.711
Rwork0.226
R-free0.25150
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)6q5e
RMSD bond length0.009
RMSD bond angle1.255
Data reduction softwareXDS
Data scaling softwareSTARANISO
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]78.6792.858
High resolution limit [Å]2.7112.711
Rmerge0.062
Number of reflections244531224
<I/σ(I)>16.9
Completeness [%]83.0
Redundancy7.5
CC(1/2)1.0000.555
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION294PEG 8000 ADA Magnesium acetate

217705

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