2C1A
Structure of cAMP-dependent protein kinase complexed with Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino) ethyl)amide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.364, 75.097, 80.069 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.330 - 1.950 |
R-factor | 0.176 |
Rwork | 0.173 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yds |
RMSD bond length | 0.015 |
RMSD bond angle | 1.420 |
Refinement software | REFMAC (5.1.29) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.050 | 0.230 |
Number of reflections | 31729 | |
<I/σ(I)> | 11.2 | 3.2 |
Completeness [%] | 98.0 | 88.8 |
Redundancy | 2.6 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |