2F9T
Structure of the type III CoaA from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97946, 0.97970, 0.97178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 91.250, 91.250, 179.201 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.980 - 2.200 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.26800 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 38666 | |
| <I/σ(I)> | 20.8 | 2.2 |
| Completeness [%] | 98.3 | 86.8 |
| Redundancy | 7.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | water, Tirs-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
