5NW8
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and Fasudil
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 | 2016-12-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.515, 73.112, 77.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.209 - 2.086 |
R-factor | 0.1784 |
Rwork | 0.177 |
R-free | 0.21180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.795 |
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] | 42.209 | 2.210 |
High resolution limit [Å] | 2.086 | 2.090 |
Number of reflections | 23612 | 3709 |
<I/σ(I)> | 16.9 | 4.95 |
Completeness [%] | 98.0 | 97.3 |
Redundancy | 5.2 | 5.1 |
CC(1/2) | 0.997 | 0.910 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277.15 | 5 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, 5 mM Fasudil x HCl, 16 % v/v methanol/water in reservoir |