5IZF
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-1408
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.95373 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 129.150, 129.150, 89.860 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.232 |
Rwork | 0.230 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cdk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.258 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.081 | 1.688 |
Number of reflections | 26024 | |
<I/σ(I)> | 15.6 | |
Completeness [%] | 98.9 | |
Redundancy | 13.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277.15 | 0.1M BisTris pH7.0, 0.2M amminium sulfate, 20%-24% PEG 3350 |