4L89
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with covalently bound CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-12 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.346, 76.673, 40.636 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.690 - 1.600 |
| R-factor | 0.15948 |
| Rwork | 0.158 |
| R-free | 0.19639 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i6c |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.990 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 (MOLREP) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.044 | 0.552 |
| Number of reflections | 24283 | |
| <I/σ(I)> | 35.8 | 2 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 289 | 1.5M ammonium sulfate, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
