5JPH
Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus in complex with 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 | CCD |
| Collection date | 2013-03-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.088, 93.821, 68.910 |
| Unit cell angles | 90.00, 97.15, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.460 |
| R-factor | 0.1431 |
| Rwork | 0.142 |
| R-free | 0.16970 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.524 |
| 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 | 1.490 |
| High resolution limit [Å] | 1.460 | 3.960 | 1.460 |
| Rmerge | 0.060 | 0.041 | 0.672 |
| Number of reflections | 108551 | ||
| <I/σ(I)> | 12.1 | 2.1 | |
| Completeness [%] | 99.1 | 94.6 | 98.3 |
| Redundancy | 4.7 | 4.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1 M Bis-tris propane pH 7.0 and 2.2 M DL-Malic acid |
