5ONI
LOW-SALT STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA) IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-15 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9660 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 128.453, 128.453, 124.106 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.041 - 2.000 |
R-factor | 0.1757 |
Rwork | 0.175 |
R-free | 0.20420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2pvr |
RMSD bond length | 0.007 |
RMSD bond angle | 0.807 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.041 | 2.072 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.065 | 1.909 |
Number of reflections | 70221 | 6881 |
<I/σ(I)> | 14.2 | 0.93 |
Completeness [%] | 99.5 | 98.84 |
Redundancy | 6.2 | 6.3 |
CC(1/2) | 0.999 | 0.437 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 90 MICROLITER ENZYME STOCK SOLUTION (6 MG/ML IN 500 MM NACL, 25 MM TRIS/HCL, PH 8.5) WAS MIXED WITH 10 MIKROLITER 4P STOCK SOLUTION (10 MM 4P IN DMSO). THIS MIXTURE WAS INCUBATED FOR 30 MIN AT ROOM TEMPERATURE. THE RESERVOIR SOLUTION OF THE CRYSTALLIZATION EXPERIMENT WAS 25 % (W/V) PEG5000, 0.2 M AMMONIUM SULPHATE, 0.1 M MES BUFFER, PH 6.5. PRIOR TO EQUILIBRATION THE CRYSTALLIZATION DROP WAS COMPOSED OF 1 MICROLITER RESERVOIR SOLUTION PLUS 1 MICROLITER ENZYME/4P MIXTURE., VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K |