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7BHJ

Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas aeruginosa in complex with DDD00084774

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I24
Synchrotron siteDiamond
BeamlineI24
Temperature [K]100
Detector technologyPIXEL
Collection date2018-10-06
DetectorDECTRIS PILATUS3 6M
Wavelength(s)0.96862
Spacegroup nameC 1 2 1
Unit cell lengths114.420, 142.200, 78.430
Unit cell angles90.00, 114.68, 90.00
Refinement procedure
Resolution66.500 - 2.110
R-factor0.204
Rwork0.202
R-free0.23420
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4cl6
RMSD bond length0.009
RMSD bond angle1.570
Data reduction softwareXDS
Data scaling softwareDIALS
Phasing softwarePHASER
Refinement softwareREFMAC (5.8.0238)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]66.5002.150
High resolution limit [Å]2.1102.110
Rmerge0.0641.298
Number of reflections651253225
<I/σ(I)>10.68
Completeness [%]99.6
Redundancy4.05
CC(1/2)0.9980.446
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION293PEG 8000, Magnesium chloride, Tris-HcL

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PDB entries from 2024-11-06

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