5N1D
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-methyl-1-(5-pyridin-3-yloxyfuran-2-yl)methanamine
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 | 2015-07-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.612, 73.456, 108.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.815 - 1.609 |
R-factor | 0.1569 |
Rwork | 0.155 |
R-free | 0.18570 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wih |
RMSD bond length | 0.017 |
RMSD bond angle | 1.475 |
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 | 1.710 |
High resolution limit [Å] | 1.610 | 1.610 |
Rmeas | 0.070 | |
Number of reflections | 61272 | 9718 |
<I/σ(I)> | 17.23 | |
Completeness [%] | 99.4 | 98.5 |
Redundancy | 4.79 | 4.61 |
CC(1/2) | 0.990 | 0.820 |
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 |