1LEZ
CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS ACTIVATOR MKK3B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2000-08-23 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 82.353, 82.353, 123.266 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 60.000 - 2.300 |
| R-factor | 0.236 |
| Rwork | 0.216 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.740 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.290 |
| High resolution limit [Å] | 2.300 * | 2.240 |
| Rmerge | 0.070 | 0.140 * |
| Number of reflections | 22380 * | |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.4 * | 289 | PEG 8000, calcium acetate, sodium cacodylate, pH 7.0, VAPOR DIFFUSION, temperature 289K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | Tris-HCl | 25 (mM) | pH7.4 |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 0.1 (mM) | |
| 5 | 1 | drop | protein | 8 (mg/ml) | |
| 6 | 1 | reservoir | PEG8000 | 20 (%) | |
| 7 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH7.0 |
| 8 | 1 | reservoir | calcium acetate | 0.2 (M) |
