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 |