7S44
Crystal structure of an N-acetyltransferase, C80T mutant, from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-amino-3,6-dideoxy-D-galactose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-11-10 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 3 |
Unit cell lengths | 103.731, 103.731, 103.731 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.740 - 1.400 |
R-factor | 0.1655 |
Rwork | 0.165 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7s3u |
RMSD bond length | 0.010 |
RMSD bond angle | 1.550 |
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 | 1.500 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 36500 | 6720 |
<I/σ(I)> | 18.1 | 4.9 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 12.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 11-16% PEG-3350, 200 mM KCl, 5 mM dTDP-3-amino-3,6-dideoxy-D-galactose, 5 mM coenzyme A, 100 mM HEPPS |