5N3L
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
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 | 2016-09-18 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.070, 71.190, 97.172 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.586 - 1.380 |
| R-factor | 0.1311 |
| Rwork | 0.130 |
| R-free | 0.15980 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wih |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.192 |
| 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 | 1.460 |
| High resolution limit [Å] | 1.380 | 1.380 |
| Rmeas | 0.104 | 0.582 |
| Number of reflections | 74698 | 11766 |
| <I/σ(I)> | 12.7 | 4.38 |
| Completeness [%] | 99.3 | 98.2 |
| Redundancy | 5.72 | 5.79 |
| CC(1/2) | 0.990 | 0.860 |
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 |
