6MN1
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in abortive complex with gentamicin-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-10-24 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.97919 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 127.337, 127.337, 95.271 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.120 - 2.250 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ht0 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.811 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((DEV_3092: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.143 | 2.007 |
Rpim | 0.577 | |
Number of reflections | 42543 | |
<I/σ(I)> | 20.48 | 1.48 |
Completeness [%] | 100.0 | |
Redundancy | 17.4 | 12.8 |
CC(1/2) | 0.641 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | 0.2 M ammonium sulfate, 0.1 M sodium citrate pH 5.6, 35% PEG5K, 10 mM gentamicin |