5N33
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one
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 | 2016-03-13 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.225, 72.589, 108.793 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.913 - 1.434 |
| R-factor | 0.1515 |
| Rwork | 0.150 |
| R-free | 0.17370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wih |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.002 |
| 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 | 1.520 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmeas | 0.066 | 0.526 |
| Number of reflections | 84316 | 12943 |
| <I/σ(I)> | 14.92 | 2.64 |
| Completeness [%] | 99.2 | 95.3 |
| Redundancy | 6.25 | 6.23 |
| CC(1/2) | 0.990 | 0.900 |
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 |
