3NYN
Crystal Structure of G Protein-Coupled Receptor Kinase 6 in Complex with Sangivamycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-08-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 61 |
| Unit cell lengths | 154.590, 154.590, 207.914 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.720 |
| R-factor | 0.22709 |
| Rwork | 0.227 |
| R-free | 0.23840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.064 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 2.750 |
| High resolution limit [Å] | 2.700 | 7.310 | 2.700 |
| Rmerge | 0.088 | 0.041 | 0.351 |
| Number of reflections | 45850 | ||
| <I/σ(I)> | 8.1 | ||
| Completeness [%] | 59.4 | 98.9 | 1.2 |
| Redundancy | 3.9 | 3.7 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 277 | 10 mg/ml GRK6 mixed 1:1 with well containing 1.9 M AMS and 100 mM Bis-Tris, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
