5N1F
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-quinolin-5-ylpyridine-3-carboxamide
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 | 2016-09-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.643, 71.621, 97.944 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.972 - 1.120 |
R-factor | 0.138 |
Rwork | 0.137 |
R-free | 0.15640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wih |
RMSD bond length | 0.010 |
RMSD bond angle | 1.165 |
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 | 1.190 |
High resolution limit [Å] | 1.120 | 1.120 |
Rmeas | 0.145 | |
Number of reflections | 137845 | 22381 |
<I/σ(I)> | 10.72 | 2.26 |
Completeness [%] | 98.5 | 91.7 |
Redundancy | 5.63 | 4.06 |
CC(1/2) | 0.990 | 0.790 |
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 |