5UZK
Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-04-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.170, 78.180, 80.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.710 - 2.300 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.25300 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | pdbid 2ERZ |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.27) |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 26.710 | 26.710 | 2.430 |
High resolution limit [Å] | 2.300 | 7.280 | 2.300 |
Rmerge | 0.063 | 0.042 | 0.285 |
Rmeas | 0.074 | 0.050 | 0.334 |
Rpim | 0.039 | 0.027 | 0.172 |
Total number of observations | 73980 | ||
Number of reflections | 20724 | ||
<I/σ(I)> | 13.9 | ||
Completeness [%] | 99.0 | 96.5 | 99 |
Redundancy | 3.6 | 3.2 | 3.6 |
CC(1/2) | 0.996 | 0.997 | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 277 | 2% MPD, VAPOR DIFFUSION, HANGING DROP |