5OTO
The crystal structure of CK2alpha in complex with compound 30
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92820 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 65.480, 69.540, 337.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 168.600 - 1.510 |
R-factor | 0.24 |
Rwork | 0.239 |
R-free | 0.25290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cvh |
RMSD bond length | 0.010 |
RMSD bond angle | 0.910 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.26) |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 337.210 | 337.210 | 1.550 |
High resolution limit [Å] | 1.510 | 6.750 | 1.510 |
Rmerge | 0.071 | 0.035 | 1.502 |
Rmeas | 0.076 | 0.038 | 1.632 |
Rpim | 0.027 | 0.013 | 0.618 |
Total number of observations | 943839 | 11723 | 59587 |
Number of reflections | 121077 | ||
<I/σ(I)> | 10 | 33.6 | 1.1 |
Completeness [%] | 99.9 | 99.8 | 99.7 |
Redundancy | 7.8 | 7.7 | 6.7 |
CC(1/2) | 0.999 | 0.999 | 0.598 |
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 |