6NP1
Product state mimicry leads to aminoglycoside discrimination in an antibiotic acetyltransferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.349, 86.576, 50.352 |
| Unit cell angles | 90.00, 118.92, 90.00 |
Refinement procedure
| Resolution | 43.287 - 1.600 |
| R-factor | 0.2085 |
| Rwork | 0.207 |
| R-free | 0.23790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6bc6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.150 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
| High resolution limit [Å] | 1.600 | 3.950 | 1.600 |
| Rmerge | 0.091 | 0.073 | 0.311 |
| Rmeas | 0.109 | 0.089 | 0.371 |
| Rpim | 0.060 | 0.050 | 0.201 |
| Total number of observations | 133616 | ||
| Number of reflections | 41106 | 2506 | 2811 |
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 97.7 | 87.7 | 99.9 |
| Redundancy | 3.3 | 3 | 3.3 |
| CC(1/2) | 0.984 | 0.902 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 279 | 15-20% polyethylene glycol (PEG) 8000,0.1 M Tris, pH=8.5 and 0.3 M MgCl2. |
