4UJB
Protein Kinase A in complex with an Inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Collection date | 2013-10-19 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.620, 75.371, 80.349 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.830 - 1.949 |
R-factor | 0.1564 |
Rwork | 0.155 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vqh |
RMSD bond length | 0.007 |
RMSD bond angle | 0.940 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.830 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.100 | 0.800 |
Number of reflections | 32724 | |
<I/σ(I)> | 13.83 | 1.94 |
Completeness [%] | 99.5 | 98.4 |
Redundancy | 5.2 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 10MG/ML PROTEIN, 25MM BISTRIS/MES PH6.9, 50MM KCL, 1.5MM OCTANOYL-N-METHYLGLUCAMIDE, 1MM PROTEIN KINASE INHIBITOR PEPTIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K |