2G39
Crystal structure of coenzyme A transferase from Pseudomonas aeruginosa
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 | 2005-11-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 171.356, 69.806, 113.244 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.16242 |
| Rwork | 0.162 |
| R-free | 0.20356 |
| Structure solution method | SAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.527 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.124 | 0.586 |
| Number of reflections | 79199 | |
| <I/σ(I)> | 19.4 | 3.17 |
| Completeness [%] | 99.1 | 96.9 |
| Redundancy | 6.9 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 289 | 4M Ammonium Acetate, 0.1M NaAcetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
