5N3A
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-amine
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 | 58.326, 72.411, 108.434 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.710 - 1.404 |
R-factor | 0.1623 |
Rwork | 0.161 |
R-free | 0.18400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wih |
RMSD bond length | 0.007 |
RMSD bond angle | 0.907 |
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 | 1.490 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmeas | 0.033 | 0.522 |
Number of reflections | 90107 | 14385 |
<I/σ(I)> | 28.34 | 3.37 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 6.62 | 6.42 |
CC(1/2) | 1.000 | 0.890 |
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 |