5N1W
Structure of xEco2 acetyltransferase domain bound to K105-CoA conjugate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2016-06-29 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.301, 60.610, 66.905 |
| Unit cell angles | 90.00, 99.63, 90.00 |
Refinement procedure
| Resolution | 56.493 - 2.300 |
| R-factor | 0.1995 |
| Rwork | 0.197 |
| R-free | 0.23910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mxe |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.422 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2664: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.493 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.270 | 1.834 |
| Number of reflections | 20265 | |
| <I/σ(I)> | 6.78 | 2.02 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 40% ethylene glycol, 0.1 M HEPES pH 7.5, 5% PEG 3K |
