5KJY
Co-crystal structure of PKA RI alpha CNB-B mutant (G316R/A336T) with cAMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2012-04-05 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 65 |
| Unit cell lengths | 98.700, 98.700, 36.170 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.307 - 2.000 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rgs |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.082 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.310 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.120 | 0.594 |
| Number of reflections | 13793 | |
| <I/σ(I)> | 8.9 | 3.1 |
| Completeness [%] | 99.6 | 96.2 |
| Redundancy | 5.5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 277.15 | 2.5M NaCl, 0.1M sodium acetate/acetic acid pH 4.7, 0.2M lithium sulfate |
