4IH8
Crystal structure of TgCDPK1 with inhibitor bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97932 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.728, 71.826, 65.646 |
| Unit cell angles | 90.00, 99.57, 90.00 |
Refinement procedure
| Resolution | 47.063 - 2.877 |
| R-factor | 0.2239 |
| Rwork | 0.221 |
| R-free | 0.28940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.823 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.950 |
| High resolution limit [Å] | 2.900 | 7.860 | 2.900 |
| Rmerge | 0.089 | 0.029 | 0.973 |
| Number of reflections | 9762 | ||
| <I/σ(I)> | 7.8 | ||
| Completeness [%] | 97.9 | 95 | 99.2 |
| Redundancy | 3.2 | 3.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 291 | 20% PEG3350, 0.2M KSCN, pH 7.5, VAPOR DIFFUSION, temperature 291K |
