3DXN
Crystal structure of the calcium-dependent kinase from toxoplasma gondii, 541.m00134, kinase domain.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-01-29 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 4 |
| Unit cell lengths | 121.345, 121.345, 45.521 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.170 |
| R-factor | 0.232 |
| Rwork | 0.230 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.866 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.750 | 2.250 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.087 | 0.620 |
| Number of reflections | 17780 | |
| <I/σ(I)> | 10.7 | 2.72 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.3 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 25% PEG3350, 0.2 M NaCl, 0.1 M Hepes, 5 % ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
