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4JPF

Structure of wild type Pseudomonas aeruginosa FabF (KASII) in Complex with ligand

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsBRUKER AXS MICROSTAR-H
Temperature [K]110
Detector technologyIMAGE PLATE
Collection date2013-02-13
DetectorMAR scanner 345 mm plate
Wavelength(s)1.5418
Spacegroup nameP 43 21 2
Unit cell lengths71.600, 71.600, 140.030
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution28.410 - 1.670
R-factor0.17103
Rwork0.169
R-free0.20212
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4b7v MonomerA
RMSD bond length0.021
RMSD bond angle1.957
Data reduction softwareXDS
Data scaling softwareXDS
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]28.4101.770
High resolution limit [Å]1.6701.670
Number of reflections43280
<I/σ(I)>2.15
Completeness [%]99.994.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP72930.2 M Magnesium Chloride, 0.1 M TRIS, 10% (w/v) PEG8000, 5 mM F24, 5% DMSO, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

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