7KES
Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in complex with apramycin and CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 127.766, 127.766, 94.645 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.190 - 2.360 |
| R-factor | 0.1924 |
| Rwork | 0.191 |
| R-free | 0.22810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ht0 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.337 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15_3448) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.400 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.091 | 1.427 |
| Rpim | 0.031 | 0.505 |
| Number of reflections | 36915 | 1816 |
| <I/σ(I)> | 21.9 | 1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.9 | |
| CC(1/2) | 0.601 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 20% PEG 3350, 50mM ADA pH 7, 10 mM apramycin |
