1IG1
1.8A X-Ray structure of ternary complex of a catalytic domain of death-associated protein kinase with ATP analogue and Mn.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Detector technology | CCD |
| Collection date | 2000-09-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.710, 62.340, 88.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.610 - 1.800 |
| R-factor | 0.189 * |
| Rwork | 0.190 |
| R-free | 0.21400 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.290 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.061 | 0.360 |
| Number of reflections | 24665 * | 2294 * |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | pH7.5 |
| 3 | 1 | drop | dithiothreitol | 1 (mM) | |
| 4 | 1 | drop | EDTA | 1 (mM) | |
| 5 | 1 | drop | 0.1 (M) | ||
| 6 | 1 | drop | AMPPnP | 2 (mM) | |
| 7 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 8 | 1 | reservoir | Tris-HCl | 100 (mM) | pH8.0 |
