5N3P
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 1H-Indol-5-ol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-18 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.895 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.763, 71.711, 97.668 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.737 - 1.580 |
R-factor | 0.159 |
Rwork | 0.158 |
R-free | 0.18070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4wih |
RMSD bond length | 0.007 |
RMSD bond angle | 0.934 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.680 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmeas | 0.112 | 0.563 |
Number of reflections | 50422 | 8033 |
<I/σ(I)> | 11.93 | 3.42 |
Completeness [%] | 99.6 | 99.4 |
Redundancy | 6.27 | 6.47 |
CC(1/2) | 0.990 | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | MES-BIS-TRIS Mega8-Solution DTT EDTA LiCl Methanol |