5N1H
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Methyl 4-(aminomethyl)benzoate
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 | 2016-09-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.775, 71.730, 97.896 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.768 - 1.180 |
R-factor | 0.1365 |
Rwork | 0.135 |
R-free | 0.15820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wih |
RMSD bond length | 0.009 |
RMSD bond angle | 1.132 |
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 | 1.250 |
High resolution limit [Å] | 1.180 | 1.180 |
Rmeas | 0.052 | 0.553 |
Number of reflections | 119561 | 18940 |
<I/σ(I)> | 17.72 | 3.44 |
Completeness [%] | 99.3 | 98.5 |
Redundancy | 5.81 | 5.89 |
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 |