2C1B
Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.310, 75.160, 80.052 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.020 - 2.000 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.21100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.311 |
Refinement software | REFMAC (5.1.29) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.000 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.120 |
Number of reflections | 29832 | |
<I/σ(I)> | 14 | 6.3 |
Completeness [%] | 98.0 | 90.4 |
Redundancy | 3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |