5NTJ
Crystal Structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compound RKp032
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 | 2015-10-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.074, 72.659, 110.670 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.022 - 1.560 |
R-factor | 0.1422 |
Rwork | 0.141 |
R-free | 0.17660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.035 |
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] | 44.022 | 1.650 |
High resolution limit [Å] | 1.560 | 1.560 |
Number of reflections | 67994 | 10617 |
<I/σ(I)> | 19.4 | 3.1 |
Completeness [%] | 98.8 | 96.7 |
Redundancy | 5.5 | 5.5 |
CC(1/2) | 0.999 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING 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, 16 % v/v methanol/water in reservoir |