9CKS
Human G protein-coupled receptor kinase 5-D311N in complex with ATP and manganese ion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 277 |
Detector technology | PIXEL |
Collection date | 2023-02-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.03317 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 137.825, 137.825, 71.289 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.560 - 3.080 |
R-factor | 0.2282 |
Rwork | 0.223 |
R-free | 0.28040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.421 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.21.1_5286) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 63.320 | 3.230 |
High resolution limit [Å] | 3.080 | 3.080 |
Rmerge | 0.251 | |
Number of reflections | 13233 | 1280 |
<I/σ(I)> | 8.3 | |
Completeness [%] | 100.0 | |
Redundancy | 13.4 | |
CC(1/2) | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | crystallized in 200mM potassium citrate tribasic, 20% polyethylene glycol 3350, followed by soaking in 25% polyethylene glycol 3350, 10% Glycerol, 1mM ATP, 500 uM manganese chloride |