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5HT0

Crystal structure of an Antibiotic_NAT family aminoglycoside acetyltransferase HMB0038 from an uncultured soil metagenomic sample in complex with coenzyme A

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 21-ID-G
Synchrotron siteAPS
Beamline21-ID-G
Temperature [K]100
Detector technologyCCD
Collection date2015-10-31
DetectorMARMOSAIC 300 mm CCD
Wavelength(s)0.97856
Spacegroup nameC 1 2 1
Unit cell lengths107.016, 159.501, 146.225
Unit cell angles90.00, 94.74, 90.00
Refinement procedure
Resolution24.973 - 2.752
R-factor0.2048
Rwork0.204
R-free0.23310
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2nyg
RMSD bond length0.014
RMSD bond angle1.827
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwareBALBES
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.800
High resolution limit [Å]2.7502.750
Rmerge0.0740.440
<I/σ(I)>17.763.19
Completeness [%]96.790.4
Redundancy43.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP112982 M ammonium sulfate, 0.5 M Capso pH 11, 10mM sisomycin, 5mM coenzyme A

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