4IFG
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) | 0.97933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.397, 72.778, 67.085 |
| Unit cell angles | 90.00, 101.66, 90.00 |
Refinement procedure
| Resolution | 48.820 - 2.110 |
| R-factor | 0.2131 |
| Rwork | 0.210 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.025 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.150 |
| High resolution limit [Å] | 2.110 | 5.720 | 2.110 |
| Rmerge | 0.069 | 0.039 | 0.945 |
| Number of reflections | 26339 | ||
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 99.7 | 94.7 | 100 |
| Redundancy | 5.3 | 4.7 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 291 | 25% PEG3350, 0.2M LiSO4, 0.1M Hepes pH 7.5, vapor diffusion, temperature 291K |
