5T6K
Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.960, 72.456, 65.671 |
| Unit cell angles | 90.00, 98.22, 90.00 |
Refinement procedure
| Resolution | 31.640 - 2.400 |
| R-factor | 0.2079 |
| Rwork | 0.206 |
| R-free | 0.24710 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3ku2 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.950 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.15) |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.460 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.051 | 0.745 |
| Number of reflections | 17270 | |
| <I/σ(I)> | 17 | 1.7 |
| Completeness [%] | 98.6 | 92.4 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PEG 3350, di Sodium-Tart |
