5J3U
Co-crystal structure of the regulatory domain of Toxoplasma gondii PKA with cAMP
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 | 2015-12-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979337 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 36.857, 59.414, 120.843 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.000 - 1.800 |
| R-factor | 0.1712 |
| Rwork | 0.170 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3of1 2qcs 3tnp |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.785 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 42.360 | 42.360 | 1.840 |
| High resolution limit [Å] | 1.800 | 9.000 | 1.800 |
| Rmerge | 0.095 | 0.030 | 0.874 |
| Rmeas | 0.101 | ||
| Rpim | 0.034 | ||
| Total number of observations | 221793 | ||
| Number of reflections | 25458 | ||
| <I/σ(I)> | 19.2 | ||
| Completeness [%] | 100.0 | 98.8 | 100 |
| Redundancy | 8.7 | 6.5 | 8.9 |
| CC(1/2) | 0.999 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% peg3350, 0.1M NH4Oac, 0.1M Hepes pH 7.5, 2 mM cAMP |
