6TLS
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-10-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97935 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 128.017, 128.017, 61.148 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.210 - 1.460 |
R-factor | 0.1548 |
Rwork | 0.154 |
R-free | 0.17270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3war |
RMSD bond length | 0.006 |
RMSD bond angle | 1.333 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.214 | 1.590 |
High resolution limit [Å] | 1.460 | 1.500 |
Rmeas | 0.037 | 0.991 |
Number of reflections | 88427 | 12923 |
<I/σ(I)> | 21.51 | 2.08 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 25.1 | 5.06 |
CC(1/2) | 0.999 | 0.762 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 0.1 M sodium HEPES/MOPS buffer pH 7.5, 20 mM sodium formate, 20 mM ammonium acetate, 20 mM sodium citrate tribasic dihydrate, 20 mM sodium potassium tartrate tetrahydrate, 20 mM sodium oxamate, 20% polyethylene glycol 550 monomethyl ester, 10% polyethylene glycol 20000 |