1JKL
1.6A X-RAY STRUCTURE OF BINARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 5ID-B |
| Synchrotron site | APS |
| Beamline | 5ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-09-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.740, 62.400, 88.110 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.930 - 1.620 |
| R-factor | 0.201 |
| Rwork | 0.201 |
| R-free | 0.21800 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.250 * |
| 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 | 1.680 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmerge | 0.037 | 0.270 * |
| Number of reflections | 32120 * | 2936 * |
| Completeness [%] | 97.7 | 94.2 |
| Redundancy | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | PROTEIN, AMPPNP, AMMONIUM SULFATE, TRIS-HL, 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 |
