5JQ4
Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus
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 | CCD |
| Collection date | 2012-03-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.453, 33.839, 67.529 |
| Unit cell angles | 90.00, 109.51, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.1819 |
| Rwork | 0.180 |
| R-free | 0.21180 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.796 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.100 | 0.089 | 0.666 |
| Number of reflections | 25666 | ||
| <I/σ(I)> | 10.7 | 2.1 | |
| Completeness [%] | 99.9 | 99 | 100 |
| Redundancy | 4.2 | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.2 M Sodium thiocyanate and 20% PEG3350 |
