5UVC
Design, Synthesis, and Evaluation of the First Selective and Potent G-protein-Coupled Receptor Kinase 2 (GRK2) Inhibitor for the Potential Treatment of Heart Failure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-16 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 113.157, 113.157, 95.427 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.650 |
R-factor | 0.2167 |
Rwork | 0.214 |
R-free | 0.26030 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.986 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 5.710 | 2.650 |
Rmerge | 0.115 | 0.069 | 0.524 |
Total number of observations | 106790 | ||
Number of reflections | 18606 | ||
<I/σ(I)> | 9 | ||
Completeness [%] | 99.9 | 100 | 98.8 |
Redundancy | 5.7 | 5.8 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 273 | 18% PEG MME 2000, 100mM MES pH 5.9, 17.5mM Ammonium Sulfate |