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 |