5INT
Crystal structure of the C-terminal Domain of Coenzyme A biosynthesis bifunctional protein CoaBC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9794 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 133.173, 133.173, 55.765 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.299 - 2.150 |
R-factor | 0.2272 |
Rwork | 0.226 |
R-free | 0.25750 |
Structure solution method | SAD |
RMSD bond length | 0.002 |
RMSD bond angle | 0.546 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (dev_1888) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.299 | 2.192 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.113 | |
Number of reflections | 49614 | |
<I/σ(I)> | 22 | |
Completeness [%] | 99.9 | |
Redundancy | 16.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Calcium Chloride 0.1 M Tris:HCl pH 8.5 25% (w/v) PEG 4000 |