1YRU
Crystal Structure analysis of the adenylyl cyclaes catalytic domain of adenylyl cyclase toxin of Bordetella pertussis in presence of c-terminal calmodulin and 1mM calcium chloride
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 | 2004-07-17 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.97951 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 79.441, 79.441, 139.181 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.231 |
| Rwork | 0.231 |
| R-free | 0.30800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.680 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 27335 | |
| Completeness [%] | 92.9 | 85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | PEG2000, Tris, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
