6CGG
Aminoglycoside Phosphotransferase (2'')-Ia in complex with GMPPNP, Magnesium, and Arbekacin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-23 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.330, 99.780, 93.510 |
Unit cell angles | 90.00, 105.43, 90.00 |
Refinement procedure
Resolution | 90.140 - 2.400 |
R-factor | 0.18026 |
Rwork | 0.178 |
R-free | 0.22330 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | PDB 5IQA |
RMSD bond length | 0.018 |
RMSD bond angle | 1.910 |
Data reduction software | iMOSFLM (0.1.27) |
Data scaling software | Aimless (0.3.11) |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.780 | 2.460 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.115 | 1.024 |
Rmeas | 0.142 | 1.198 |
Rpim | 0.098 | 0.793 |
Number of reflections | 62642 | 4597 |
<I/σ(I)> | 6.1 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.8 | 3.7 |
CC(1/2) | 0.992 | 0.383 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 80-120mM MgCl2, 8% glycerol, 10% PEG 3350, 100mM HEPES pH 7.5 |