5N3F
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-[3-(aminomethyl)phenyl]acetamide
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 | 2016-04-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.765, 72.194, 108.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.575 - 1.680 |
| R-factor | 0.1734 |
| Rwork | 0.172 |
| R-free | 0.19290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wih |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.355 |
| 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 | 1.790 |
| High resolution limit [Å] | 1.680 | 1.680 |
| Rmeas | 0.047 | 0.543 |
| Number of reflections | 53011 | 8418 |
| <I/σ(I)> | 24.97 | 3.76 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.61 | 6.41 |
| CC(1/2) | 1.000 | 0.870 |
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 |
