1DI9
THE STRUCTURE OF P38 MITOGEN-ACTIVATED PROTEIN KINASE IN COMPLEX WITH 4-[3-METHYLSULFANYLANILINO]-6,7-DIMETHOXYQUINAZOLINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-25 |
| Detector | RIGAKU RAXIS IIC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.176, 84.862, 127.015 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 * - 2.600 |
| R-factor | 0.206 * |
| Rwork | 0.209 |
| R-free | 0.25100 * |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.340 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 * | 2.760 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.065 * | 0.284 |
| Total number of observations | 88853 * | |
| Number of reflections | 14136 * | |
| <I/σ(I)> | 30.8 | |
| Completeness [%] | 90.0 * | 82.2 |
| Redundancy | 5.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.5 | 20 * | 100MM HEPES, 250MM (NH4)2SO4, 30% PEG6000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | HEPES | 50 (mM) | pH7.5 |
| 3 | 1 | drop | 300 (mM) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | PEG600 | 30 (%) | |
| 6 | 1 | reservoir | ammonium sulfate | 250 (mM) | |
| 7 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
