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 |