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6CGG

Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Arbekacin

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCLSI BEAMLINE 08ID-1
Synchrotron siteCLSI
Beamline08ID-1
Temperature [K]100
Detector technologyCCD
Collection date2016-08-23
DetectorRAYONIX MX-300
Wavelength(s)0.9795
Spacegroup nameP 1 21 1
Unit cell lengths90.330, 99.780, 93.510
Unit cell angles90.00, 105.43, 90.00
Refinement procedure
Resolution90.140 - 2.400
R-factor0.18026
Rwork0.178
R-free0.22330
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)PDB 5IQA
RMSD bond length0.018
RMSD bond angle1.910
Data reduction softwareiMOSFLM (0.1.27)
Data scaling softwareAimless (0.3.11)
Refinement softwareREFMAC (5.8.0189)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]99.7802.460
High resolution limit [Å]2.4002.400
Rmerge0.1151.024
Rmeas0.1421.198
Rpim0.0980.793
Number of reflections626424597
<I/σ(I)>6.11
Completeness [%]100.0100
Redundancy3.83.7
CC(1/2)0.9920.383
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.529680-120mM MgCl2, 8% glycerol, 10% PEG 3350, 100mM HEPES pH 7.5

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