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5M9B

Crystal structure of the ferric enterobactin receptor (PfeA) from Pseudomonas aeruginosa

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2012-02-20
DetectorDECTRIS PILATUS 2M
Wavelength(s)0.9174
Spacegroup nameP 21 21 2
Unit cell lengths87.890, 158.180, 77.840
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution76.830 - 2.120
R-factor0.20027
Rwork0.199
R-free0.23076
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1fep
RMSD bond length0.011
RMSD bond angle1.447
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0155)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]76.8302.180
High resolution limit [Å]2.1202.120
Rmerge1.190
Number of reflections62126
<I/σ(I)>20.31.7
Completeness [%]99.699.8
Redundancy7.57.4
CC(1/2)0.9990.618
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.5294PEG 8000, ADA, Magnesium acetate

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