7TXQ
x-ray structure of the VioB N-acetyltransferase from Acinetobacter baumannii in the present of TDP and Acetyl-CoenzymeA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-30 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 97.413, 97.413, 72.842 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.460 - 1.650 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.20420 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7txp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.594 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 30576 | 4811 |
| <I/σ(I)> | 12 | 3 |
| Completeness [%] | 98.6 | 96.3 |
| Redundancy | 4.8 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 8 - 12% poly(ethylene glycol) 8000, 200 mM LiCl, 5 mM dTDP-4-amino-4,6-dideoxy-D-glucose, 5 mM CoA, and 100 mM MES (pH 6.0). ligands removed by soaking, then soak in 5 mM dTDP and 5 mM Acetyl-coenzymeA |
