3AGM
Complex of PKA with the bisubstrate protein kinase inhibitor ARC-670
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Detector technology | CCD |
| Collection date | 2010-02-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.23985 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 85.520, 85.520, 99.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.610 - 2.000 |
| R-factor | 0.225 |
| Rwork | 0.223 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cdk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.135 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.610 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.086 | 0.393 |
| Number of reflections | 25504 | |
| <I/σ(I)> | 1.9 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 25 mM Tris-HCl, 25 mM NaCl, 1.5 mM octanoyl-N-methylglucamide, equilibrated against 12-15 % (v/v) methanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
