4OAE
Crystal structure of a GNAT superfamily acetyltransferase PA4794 C29A/C117A/Y128A mutant in complex with chloramphenicol
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 | 2012-11-12 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.91837 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.880, 75.626, 39.482 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.960 - 1.250 |
| R-factor | 0.1221 |
| Rwork | 0.120 |
| R-free | 0.15476 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kua |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.920 |
| Data reduction software | DENZO (3000: MOLREP) |
| Data scaling software | SCALEPACK (3000: MOLREP) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.053 | 0.747 |
| Number of reflections | 48658 | |
| <I/σ(I)> | 43.7 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 2M ammonium sulfate, 0.1M Bis-Tris pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
