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6ALW

The crystal structure of the Staphylococcus aureus Fatty acid Kinase (Fak) B1 protein loaded with 12-Methyl Myristic Acid (C15:0) to 1.63 Angstrom resolution

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 22-BM
Synchrotron siteAPS
Beamline22-BM
Temperature [K]100
Detector technologyCCD
Collection date2016-11-10
DetectorMARMOSAIC 225 mm CCD
Wavelength(s)1.0000
Spacegroup nameP 1
Unit cell lengths33.348, 54.529, 84.415
Unit cell angles105.13, 90.00, 107.81
Refinement procedure
Resolution40.591 - 1.630
R-factor0.1571
Rwork0.155
R-free0.19670
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5uto
RMSD bond length0.010
RMSD bond angle0.952
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwarePHENIX ((1.12_2829: ???))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]81.1801.660
High resolution limit [Å]1.6301.630
Rmerge0.1840.906
Rmeas0.212
Rpim0.1060.524
Number of reflections661123294
<I/σ(I)>8.62
Completeness [%]97.295.2
Redundancy44
CC(1/2)0.9850.662
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP293PH 6.5 0.1M MES/IMIDAZOLE, 12.5% PEG1000, 12.5% PEG3350, 12.5% MPD, 0.03M NaNO3, 0.03M NA2HPO4, 0.03M (NH4)2 SO4

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