5W9E
Toxoplasma Gondii CDPK1 in complex with inhibitor GXJ-186
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 | 2015-04-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.997, 72.802, 64.595 |
| Unit cell angles | 90.00, 98.57, 90.00 |
Refinement procedure
| Resolution | 48.010 - 2.440 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.24900 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.680 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.12) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.010 | 48.010 | 2.540 |
| High resolution limit [Å] | 2.440 | 8.790 | 2.440 |
| Rmerge | 0.021 | 1.056 | |
| Rmeas | 0.025 | 1.247 | |
| Rpim | 0.013 | 0.656 | |
| Number of reflections | 16313 | ||
| Completeness [%] | 99.3 | 88.3 | |
| Redundancy | 3.4 | 3.4 | |
| CC(1/2) | 0.999 | 0.476 |
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, 5 % Glycerol |
