6YPS
Crystal structure of the cAMP-dependent protein kinase A in complex with 4-hydroxybenzamidine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.03320 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.736, 71.316, 97.495 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.750 - 1.350 |
R-factor | 0.1448 |
Rwork | 0.144 |
R-free | 0.15700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.934 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.750 | 1.430 |
High resolution limit [Å] | 1.348 | 1.350 |
Number of reflections | 78185 | 12184 |
<I/σ(I)> | 22.58 | 3.53 |
Completeness [%] | 97.5 | |
Redundancy | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | 0,2 mM PKA in 100 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 mM Mega 8 and 23 % methanol (v/v) 0.003 mL drop volume, 0.5 mL reservoir volume |