3IS5
Crystal structure of CDPK kinase domain from toxoplasma Gondii, TGME49_018720
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 | 2009-06-20 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.96427 |
| Spacegroup name | P 32 |
| Unit cell lengths | 113.973, 113.973, 153.471 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.550 |
| R-factor | 0.22 |
| Rwork | 0.218 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dxn |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.120 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.094 | 0.999 |
| Number of reflections | 87222 | |
| <I/σ(I)> | 8 | 1.85 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.1 M Glycine pH 9.5, 13.6% PEG8000, 0.2 M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
