1JKK
2.4A X-RAY STRUCTURE OF TERNARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE AND MG.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-21 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.630, 62.430, 88.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.590 - 2.400 |
| R-factor | 0.201 * |
| Rwork | 0.204 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 * |
| 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 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.070 | 0.300 |
| Number of reflections | 10555 | 1033 * |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | PROTEIN, AMPPnP, AMMONIUM SULFATE, TRIS-HL (pH 8), MGCL2 SOAKING, 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 |
