8A9N
Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-03 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9801 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.870, 68.080, 55.740 |
| Unit cell angles | 90.00, 109.12, 90.00 |
Refinement procedure
| Resolution | 41.660 - 1.854 |
| R-factor | 0.2082 |
| Rwork | 0.206 |
| R-free | 0.25090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gtp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (3-FEB-2022)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.660 | 1.970 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rpim | 0.054 | 0.670 |
| Number of reflections | 25133 | 2407 |
| <I/σ(I)> | 8.43 | |
| Completeness [%] | 97.4 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.996 | 0.418 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.16 | 0.1M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4,000, 0.1 mM acetyl-CoA |
