6Z44
Crystal structure of the cAMP-dependent protein kinase A in complex with phenol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-08 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.91840 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.775, 71.385, 97.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.120 - 1.380 |
R-factor | 0.1465 |
Rwork | 0.145 |
R-free | 0.17360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6f14 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.935 |
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] | 48.705 | 1.460 |
High resolution limit [Å] | 1.379 | 1.380 |
Number of reflections | 74984 | 11843 |
<I/σ(I)> | 21.7 | 3.07 |
Completeness [%] | 99.8 | |
Redundancy | 6.5 |
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 Soaking: 100mM phenol in buffer described above and 30% MPD |