3V51
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor RM-1-176
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-12-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.317, 72.619, 67.356 |
| Unit cell angles | 90.00, 103.90, 90.00 |
Refinement procedure
| Resolution | 37.230 - 1.950 |
| R-factor | 0.1985 |
| Rwork | 0.197 |
| R-free | 0.23410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.205 |
| Data scaling software | SCALA (3.3.16) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 39.398 | 39.398 | 2.050 |
| High resolution limit [Å] | 1.948 | 6.160 | 1.950 |
| Rmerge | 0.026 | 0.673 | |
| Total number of observations | 4338 | 17695 | |
| Number of reflections | 32294 | ||
| <I/σ(I)> | 13.5 | 21.4 | 1.1 |
| Completeness [%] | 97.6 | 97.9 | 93 |
| Redundancy | 4.2 | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 24% PEG 3350, 0.250 M ammonium citrate, 5 mM DTT, 2.3 mM RM-1-176, pH 7.5, vapor diffusion, sitting drop, temperature 298K |
