5W80
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-237
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.969, 72.815, 65.528 |
| Unit cell angles | 90.00, 99.53, 90.00 |
Refinement procedure
| Resolution | 48.330 - 2.000 |
| R-factor | 0.188 |
| Rwork | 0.185 |
| R-free | 0.23700 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4ih8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.800 |
| Data scaling software | Aimless (0.5.12) |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.330 | 48.330 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.930 | 2.000 |
| Rmerge | 0.039 | 0.460 | |
| Rmeas | 0.045 | 0.530 | |
| Rpim | 0.023 | 0.259 | |
| Number of reflections | 30132 | ||
| Completeness [%] | 99.7 | 94.1 | |
| Redundancy | 4 | 4 | |
| CC(1/2) | 0.996 | 0.912 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG8K, 0.2M NaCl, 0.1M Hepes pH7.5, 10 % Glycerol |
