6Y2O
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with 1,7-Naphthyridin-8-amine and PKI (5-24)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91840 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.642, 74.916, 106.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.180 - 2.010 |
R-factor | 0.2225 |
Rwork | 0.221 |
R-free | 0.25390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f14 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.841 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.180 | 2.130 |
High resolution limit [Å] | 2.006 | 2.010 |
Number of reflections | 31850 | 5005 |
<I/σ(I)> | 19.9 | 3.56 |
Completeness [%] | 99.5 | 98.4 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | 30 mM MES-BIS-Tris-Buffer, 1 mM dithiothreitol, 0.1 mM sodium EDTA, 75 mM LiCl, 0.2 Mega8, 14 mM 1,7-Naphthyridin-8-amine, 0.5 mM PKI (5-24) and 18-23 % methanol (v/v)0.004 mL drop volume, 1.0 mL reservoir volume |