5VD6
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 57.088, 76.151, 38.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.680 - 1.200 |
| R-factor | 0.1339 |
| Rwork | 0.132 |
| R-free | 0.16320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l8a |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.482 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.220 |
| High resolution limit [Å] | 1.200 | 3.260 | 1.200 |
| Rmerge | 0.067 | 0.053 | 0.644 |
| Rmeas | 0.074 | 0.059 | 0.712 |
| Rpim | 0.030 | 0.024 | 0.297 |
| Total number of observations | 325622 | ||
| Number of reflections | 53381 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 99.0 | 97.5 | 97.8 |
| Redundancy | 6.1 | 5.3 | 5.5 |
| CC(1/2) | 0.995 | 0.852 |
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 |
