5VHB
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-12-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.304, 75.981, 80.131 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.570 - 1.610 |
R-factor | 0.178 |
Rwork | 0.177 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.920 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.12) |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.980 | 1.700 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmerge | 0.045 | 0.451 |
Rmeas | 0.543 | |
Rpim | 0.296 | |
Number of reflections | 57161 | 7394 |
<I/σ(I)> | 22 | |
Completeness [%] | 98.0 | 87.9 |
Redundancy | 5.6 | 2.9 |
CC(1/2) | 0.999 | 0.792 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.6 | 277 | 15% methanol |