5N3C
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Thiophene-3-Carboximidamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.513, 72.728, 108.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.590 - 1.772 |
| R-factor | 0.1791 |
| Rwork | 0.178 |
| R-free | 0.19580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wih |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.894 |
| 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 | 1.880 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmeas | 0.109 | 0.595 |
| Number of reflections | 45623 | 7178 |
| <I/σ(I)> | 13.24 | 3.06 |
| Completeness [%] | 99.8 | 98.9 |
| Redundancy | 6.58 | 6.41 |
| CC(1/2) | 0.990 | 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 |
