5JR7
Crystal structure of an ACRDYS heterodimer [RIa(92-365):C] of PKA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2014-05-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 60.146, 66.790, 87.932 |
Unit cell angles | 101.76, 89.37, 105.27 |
Refinement procedure
Resolution | 49.110 - 3.560 |
R-factor | 0.269 |
Rwork | 0.266 |
R-free | 0.32200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcs |
RMSD bond length | 0.009 |
RMSD bond angle | 1.738 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.7_650) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.630 |
High resolution limit [Å] | 3.560 | 3.560 |
Rmerge | 0.155 | 0.490 |
Number of reflections | 15767 | |
<I/σ(I)> | 11.8 | 4.1 |
Completeness [%] | 98.6 | 98.2 |
Redundancy | 3.6 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | 0.2 M Sodium thiocyanate and 20% PEG 3350 with the protein at a final concentration of 5 mg/ml in a 1.6 ul drop |