5W8R
Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI
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 | 48.024, 72.944, 65.546 |
| Unit cell angles | 90.00, 99.30, 90.00 |
Refinement procedure
| Resolution | 48.400 - 2.200 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ifg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.730 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.400 | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
| Rmerge | 0.043 | 0.435 | |
| Rmeas | 0.050 | 0.517 | |
| Rpim | 0.025 | 0.274 | |
| Number of reflections | 22522 | ||
| Completeness [%] | 99.8 | 90.7 | |
| Redundancy | 4 | 3.3 | |
| CC(1/2) | 0.992 | 0.794 |
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 |
