4TND
Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with AMP-PNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2012-03-10 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.975, 62.975, 292.644 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.728 - 1.802 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.20470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2acx |
RMSD bond length | 0.008 |
RMSD bond angle | 1.189 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.728 | 1.830 |
High resolution limit [Å] | 1.802 | 1.800 |
Rmerge | 0.829 | |
Number of reflections | 52646 | |
<I/σ(I)> | 63.85 | 1.17 |
Completeness [%] | 99.8 | 59.7 |
Redundancy | 30.4 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 20% PEG 3350, 0.15 M Sodium Chloride, 0.1 M BIS-TRIS pH 6.5 Crystal growth and size improved by using micro-seeding technique |