4M84
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1455
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-07 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.120, 73.180, 66.010 |
| Unit cell angles | 90.00, 99.77, 90.00 |
Refinement procedure
| Resolution | 48.670 - 1.998 |
| R-factor | 0.201 |
| Rwork | 0.198 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sx9 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.434 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (0.1.29) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 48.673 |
| High resolution limit [Å] | 1.998 |
| Rmerge | 0.058 |
| Number of reflections | 28948 |
| <I/σ(I)> | 10 |
| Completeness [%] | 94.6 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 24% PEG 3350, 0.275 M ammonium citrate, 5 mM DTT, 2 mM UW1455, pH 7.5, vapor diffusion, sitting drop, temperature 298K |
