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5V0P

Crystal Structure of Beta-ketoacyl-ACP synthase III-2 (FabH2) (C113A) from Vibrio Cholerae co-crystallized with octanoyl-CoA

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2015-04-20
DetectorADSC QUANTUM 210r
Wavelength(s)1.2861
Spacegroup nameP 1 21 1
Unit cell lengths85.317, 61.887, 75.734
Unit cell angles90.00, 93.18, 90.00
Refinement procedure
Resolution50.010 - 2.160
R-factor0.17543
Rwork0.174
R-free0.20660
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)4wzu
RMSD bond length0.009
RMSD bond angle1.420
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0158)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0102.200
High resolution limit [Å]2.1602.160
Rmerge0.0570.130
Rpim0.0370.094
Number of reflections423432084
<I/σ(I)>3812
Completeness [%]99.398.5
Redundancy3.22.6
CC(1/2)0.977
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52890.1M HEPES PH 7.5, 30% (W/V) PEG 400

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