3JTF
The CBS Domain Pair Structure of a magnesium and cobalt efflux protein from Bordetella parapertussis in complex with AMP
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97942,0.97931 |
| Spacegroup name | P 43 |
| Unit cell lengths | 84.850, 84.850, 38.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.120 - 2.000 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.22300 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.649 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.106 | 0.093 | 0.502 |
| Number of reflections | 18585 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.8 | 97.5 | 100 |
| Redundancy | 8.2 | 7.4 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 297 | 0.2M ammonium sulfate, 0.1M Bis Tris pH 5.5, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
