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4KOX

Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefalotin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2010-03-18
DetectorADSC QUANTUM 210r
Wavelength(s)0.9792
Spacegroup nameP 21 21 2
Unit cell lengths58.194, 76.170, 39.150
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution34.840 - 1.800
R-factor0.14853
Rwork0.146
R-free0.19281
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2i6c
RMSD bond length0.019
RMSD bond angle1.946
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareHKL-3000 (MOLREP)
Refinement softwareREFMAC (5.7.0029)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0001.830
High resolution limit [Å]1.8001.800
Rmerge0.0580.699
Number of reflections16865
<I/σ(I)>33.42.6
Completeness [%]100.0100
Redundancy6.96.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.52892M ammonium sulfate, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K

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