4MK0
Crystal structure of G protein-coupled receptor kinase 2 in complex with a a rationally designed paroxetine derivative
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-04-12 |
| Detector | MAR scanner 300 mm plate |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 61.222, 240.973, 212.083 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.400 |
| R-factor | 0.179 |
| Rwork | 0.175 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.066 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.990 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 29079 | |
| <I/σ(I)> | 15.4 | 2.3 |
| Completeness [%] | 94.4 | 1 |
| Redundancy | 5 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 277 | 6% PEG 3350, 1M NaCl, 2 mM MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
