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5ICH

Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2014-02-20
DetectorADSC QUANTUM 210r
Wavelength(s)0.97905
Spacegroup nameP 1 21 1
Unit cell lengths50.917, 69.383, 97.664
Unit cell angles90.00, 92.30, 90.00
Refinement procedure
Resolution21.500 - 1.850
R-factor0.1712
Rwork0.169
R-free0.20520
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5iby
RMSD bond length0.010
RMSD bond angle1.186
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP (11.0.05)
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0001.920
High resolution limit [Å]1.8503.9901.850
Rmerge0.0370.0260.126
Rmeas0.0410.0300.145
Rpim0.0180.0130.070
Total number of observations282553
Number of reflections58160
<I/σ(I)>23.7
Completeness [%]99.898.2100
Redundancy4.94.74.1
CC(1/2)0.9990.984
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.252891.5 UL PROTEIN + 1.5 UL BUFFER (27% PEG3350, 0.1 M SODIUM CACODYLATE, 0.2 M SODIUM CHLORIDE, PH 5.25)

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