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6I2J

Crystal structure of the ferric enterobactin receptor mutant (Q482A) from Pseudomonas aeruginosa (PfeA) in complex with enterobactin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2016-08-18
DetectorRIGAKU SATURN 944+
Wavelength(s)1.54
Spacegroup nameP 21 21 2
Unit cell lengths86.964, 158.288, 78.474
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution79.140 - 2.960
R-factor0.30187
Rwork0.301
R-free0.31574
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5m9b
RMSD bond length0.011
RMSD bond angle1.440
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]79.1403.000
High resolution limit [Å]2.9602.960
Rmerge0.0710.627
Number of reflections21785
<I/σ(I)>21.7
Completeness [%]93.392.3
Redundancy6.34.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.5294PEG 8000 ADA Magnesium acetate

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