5VDB
Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3
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 | 57.335, 76.121, 39.149 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.800 - 1.400 |
| R-factor | 0.1464 |
| Rwork | 0.145 |
| R-free | 0.17040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4l8a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.231 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
| Rmerge | 0.053 | 0.033 | 0.800 |
| Rmeas | 0.057 | 0.036 | 0.867 |
| Rpim | 0.022 | 0.014 | 0.330 |
| Total number of observations | 237096 | ||
| Number of reflections | 34368 | ||
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 99.9 | 99.1 | 100 |
| Redundancy | 6.9 | 6.3 | 6.8 |
| CC(1/2) | 0.997 | 0.777 |
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 |
