8UAP
Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 137.855, 137.855, 71.089 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.740 - 2.500 |
R-factor | 0.2294 |
Rwork | 0.227 |
R-free | 0.26650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.695 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.20_4459+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.100 | 2.470 |
High resolution limit [Å] | 2.390 | 2.390 |
Rmerge | 0.144 | |
Number of reflections | 27696 | 2700 |
<I/σ(I)> | 9 | |
Completeness [%] | 100.0 | |
Redundancy | 12.5 | |
CC(1/2) | 0.939 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277.15 | 220 mM potassium citrate tribasic, 20% PEG3350, crystals soaked in 25% PEG3350, 10% glycerol, 1 mM inhibitor |