7S3U
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-27 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 102.970, 102.970, 102.970 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.430 - 1.450 |
| R-factor | 0.1726 |
| Rwork | 0.172 |
| R-free | 0.19210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mzu |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.643 |
| 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 | 1.550 |
| High resolution limit [Å] | 1.450 | 1.456 |
| Number of reflections | 32307 | 5844 |
| <I/σ(I)> | 18.7 | 5.1 |
| Completeness [%] | 99.8 | 99 |
| Redundancy | 14.3 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 16-20% PEG-3350, 200 mM KCl, 5 mM dTDP-3-amino-3,6-dideoxy-D-glucose, 5 mM Coenzyme A, 100 mM HEPPS |
