1YDS
Structure of CAMP-dependent protein kinase, alpha-catalytic subunit in complex with H8 protein kinase inhibitor [N-(2-methylamino)ethyl]-5-isoquinolinesulfonamide
Experimental procedure
Detector technology | AREA DETECTOR |
Detector | SIEMENS-NICOLET X100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.380, 76.200, 80.520 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.200 |
R-factor | 0.199 |
Rwork | 0.199 |
RMSD bond length | 0.013 * |
RMSD bond angle | 1.800 * |
Data reduction software | SAINT |
Data scaling software | SAINT |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 6.000 * | |
High resolution limit [Å] | 2.200 * | 2.200 * |
Rmerge | 0.057 * | |
Number of reflections | 17182 | |
Completeness [%] | 77.0 | 51 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 5 * | 15 % METHANOL, 70 MILLIMOLAR SODIUM SULFATE, 20 MILLIMOLAR MES-BIS-TRIS PH 6.5, 279K USING HANGING DROP DIFFUSION., vapor diffusion - hanging drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 20 (mg/ml) | |
2 | 1 | drop | Mes-BisTris | 25 (mM) | |
3 | 1 | drop | 75 (mM) | ||
4 | 1 | drop | EDTA | 1 (mM) | |
5 | 1 | drop | dithiothreitol | 1 (mM) | |
6 | 1 | drop | octanoyl-N-methylglucamide | 1.5 (mM) | |
7 | 1 | drop | H inhibitor | 1.5 (mM) | |
8 | 1 | drop | PKI-(5-24) | 1 (mM) | |
9 | 1 | reservoir | methanol | 15 (%) |