6EH2
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-09-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.014, 73.158, 109.504 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.357 - 1.760 |
R-factor | 0.1774 |
Rwork | 0.176 |
R-free | 0.21030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.984 |
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] | 42.357 | 1.870 |
High resolution limit [Å] | 1.760 | 1.760 |
Number of reflections | 47360 | 7502 |
<I/σ(I)> | 30.8 | 3.46 |
Completeness [%] | 99.5 | 99 |
Redundancy | 5.88 | 5.84 |
CC(1/2) | 1.000 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277.15 | 100 mM Mes-Bis-Tris, 75 mM lithium chloride, 1 mM DTT, 0.1 mM sodium EDTA, 0.25 mM Mega 8, 0.7 mM peptidic ligand, 2 mM AMP, 19% v/v methanol/water in reservoir |