6Y8C
Crystal structure of the cAMP-dependent protein kinase A cocrystallized with ATP and PKI (5-24)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97900 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.980, 78.916, 88.388 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.320 - 1.760 |
R-factor | 0.1623 |
Rwork | 0.161 |
R-free | 0.19020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f14 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.862 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.194 | 1.870 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 44973 | 7061 |
<I/σ(I)> | 18.92 | 3.67 |
Completeness [%] | 99.6 | |
Redundancy | 7.3 |
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, LiCl, Mega 8, ATP MgCl2 and 18-23 % methanol (v/v), 0.7 mM PKI(5-24), 0.004 mL drop volume, 0.5 mL reservoir volume |