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 |