1J1B
Binary complex structure of human tau protein kinase I with AMPPNP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL24XU |
| Synchrotron site | SPring-8 |
| Beamline | BL24XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 0.835 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 82.800, 86.300, 178.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 1.800 |
| R-factor | 0.216 * |
| Rwork | 0.216 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.150 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (98.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.800 | 1.880 |
| High resolution limit [Å] | 1.700 | 1.800 |
| Rmerge | 0.056 * | |
| Total number of observations | 525584 * | |
| Number of reflections | 115006 | |
| Completeness [%] | 90.0 | 88.6 |
| Redundancy | 6.4 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | PEG6000, sodium chloride, magnesium chloride, glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG6000 | 12-14 (%(w/v)) | |
| 2 | 1 | reservoir | 100 (mM) | ||
| 3 | 1 | reservoir | 5 (mM) | ||
| 4 | 1 | reservoir | glycerol | 10 (%(v/v)) | |
| 5 | 1 | reservoir | HEPES-NaOH | 100 (mM) | |
| 6 | 1 | drop | protein | 10 (mg/ml) | |
| 7 | 1 | drop | ATP | 2 (mM) | or AMPPNP |
