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4CL6

Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas aeruginosa in complex with N-(4- Chlorobenzyl)-3-(2-furyl)-1H-1,2,4-triazol-5-amine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX
Temperature [K]100
Detector technologyCCD
Collection date2012-12-05
DetectorRIGAKU CCD
Spacegroup nameC 1 2 1
Unit cell lengths115.610, 142.870, 77.850
Unit cell angles90.00, 116.47, 90.00
Refinement procedure
Resolution43.510 - 2.410
R-factor0.18355
Rwork0.182
R-free0.21169
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4b0c
RMSD bond length0.012
RMSD bond angle1.271
Data reduction softwareXDS
Data scaling softwareXSCALE
Phasing softwarePHASER
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]43.5102.470
High resolution limit [Å]2.4102.410
Rmerge0.0700.620
Number of reflections42735
<I/σ(I)>17.52.3
Completeness [%]97.494.8
Redundancy3.93.6
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
150.1 M LITHIUM SULPHATE, 12 % PEG MME 5000, 0.1 M SODIUM CITRATE PH 5

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