6TLO
HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6-TRIBROMOBENZOTRIAZOLE
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 | 2015-08-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91160 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 129.008, 129.008, 61.144 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.380 - 1.690 |
R-factor | 0.1499 |
Rwork | 0.149 |
R-free | 0.17130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3war |
RMSD bond length | 0.006 |
RMSD bond angle | 1.352 |
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] | 44.380 | 1.790 |
High resolution limit [Å] | 1.690 | 1.690 |
Rmeas | 0.102 | 1.661 |
Number of reflections | 57252 | 8079 |
<I/σ(I)> | 19.54 | 1.96 |
Completeness [%] | 97.9 | 86.7 |
Redundancy | 25.1 | 24.3 |
CC(1/2) | 0.999 | 0.831 |
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 |