5N22
Structure of xEco2 acetyltransferase domain bound to K106-CoA conjugate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2016-04-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 107.236, 57.768, 70.954 |
Unit cell angles | 90.00, 89.97, 90.00 |
Refinement procedure
Resolution | 59.160 - 1.990 |
R-factor | 0.2129 |
Rwork | 0.211 |
R-free | 0.25310 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.371 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_2664: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.160 | 2.060 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.065 | 0.765 |
Number of reflections | 59859 | |
<I/σ(I)> | 8.25 | 1.65 |
Completeness [%] | 98.0 | 100 |
Redundancy | 3.3 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.18 M MgCl2, 10% glycerol, 27% 2-propanol and 0.09 M HEPES pH 7.5 |