8VR6
crystal structure of the Pcryo_0619 N-acetryltransferase from Psychrobacter cryohalolentis K5 in the presence of CoA-disulfide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-08-09 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9792 |
Spacegroup name | I 21 3 |
Unit cell lengths | 114.903, 114.903, 114.903 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.620 - 1.900 |
R-factor | 0.20459 |
Rwork | 0.202 |
R-free | 0.24211 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.490 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 19728 | 973 |
<I/σ(I)> | 52 | |
Completeness [%] | 98.3 | 97.9 |
Redundancy | 8.5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | Protein incubated with 2 mM coenzyme A. Precipitant: 23-26% pentaerythritol ethoxylate (3/4 EO/OH), 100 mM MES (pH 6) |