5CVF
Crystal Structure of CK2alpha with Compound 5 bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-13 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9393 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.680, 45.900, 62.900 |
Unit cell angles | 90.00, 111.86, 90.00 |
Refinement procedure
Resolution | 36.080 - 1.630 |
R-factor | 0.2013 |
Rwork | 0.201 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3war |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.4) |
Phasing software | PHASER (2.5.1) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 54.460 | 54.460 | 1.660 |
High resolution limit [Å] | 1.630 | 8.940 | 1.630 |
Rmerge | 0.069 | 0.031 | 0.752 |
Rpim | 0.045 | 0.022 | 0.491 |
Total number of observations | 123930 | 564 | 5626 |
Number of reflections | 38063 | ||
<I/σ(I)> | 10.4 | 22.3 | 1.5 |
Completeness [%] | 97.8 | 82.1 | 94.4 |
Redundancy | 3.3 | 2.6 | 3.1 |
CC(1/2) | 0.997 | 0.996 | 0.531 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 112.5mM Mes pH 6.5, 35% glycerol ethoxylate, 180 mM ammonium acetate |