7S45
Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Acetyl Coenzyme A and dTDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-28 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 103.452, 103.452, 103.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.740 - 1.200 |
| R-factor | 0.175 |
| Rwork | 0.174 |
| R-free | 0.18930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7s3u |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.596 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.300 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Number of reflections | 57433 | 12226 |
| <I/σ(I)> | 13.7 | 4.2 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 12 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG-8000, 2% MPD, 5 mM dTDP, 5 mM acetyl coenzyme A, 100 mM MOPS |
