7QGB
H. SAPIENS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE AT PH 6.5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-03 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.91170 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 128.487, 128.487, 61.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.430 - 2.580 |
R-factor | 0.1825 |
Rwork | 0.180 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3war |
RMSD bond length | 0.007 |
RMSD bond angle | 1.172 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.430 | 2.730 |
High resolution limit [Å] | 2.580 | 2.580 |
Rmeas | 0.314 | 2.105 |
Number of reflections | 16669 | 2640 |
<I/σ(I)> | 12.63 | 1.99 |
Completeness [%] | 99.8 | 99.8 |
Redundancy | 26 | 26.42 |
CC(1/2) | 0.996 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 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 20 000, and 0.1 M buffering solution of imidazole/MES pH 6.5 |