5N3E
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 6-dimethylaminopyridine-3-carboxylic acid
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 | 2016-04-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.631, 72.297, 108.576 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.538 - 1.529 |
R-factor | 0.1565 |
Rwork | 0.155 |
R-free | 0.18460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wih |
RMSD bond length | 0.006 |
RMSD bond angle | 0.816 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.620 |
High resolution limit [Å] | 1.530 | 1.530 |
Rmeas | 0.045 | 0.547 |
Number of reflections | 69062 | 10849 |
<I/σ(I)> | 23.19 | 3.46 |
Completeness [%] | 98.0 | 96.3 |
Redundancy | 7.13 | 7.28 |
CC(1/2) | 0.990 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | MES-BIS-TRIS Mega8-Solution DTT EDTA LiCl Methanol |