1J91
Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the ATP-competitive inhibitor 4,5,6,7-tetrabromobenzotriazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-07-06 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.255, 55.943, 60.302 |
| Unit cell angles | 89.77, 102.51, 99.27 |
Refinement procedure
| Resolution | 19.920 - 2.220 |
| R-factor | 0.205 * |
| Rwork | 0.205 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 21.400 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.445 | 2.310 |
| High resolution limit [Å] | 2.190 * | 2.190 |
| Rmerge | 0.035 * | 0.093 |
| Number of reflections | 27389 | 3783 * |
| <I/σ(I)> | 13.5 | 7.2 |
| Completeness [%] | 87.5 | 82.8 |
| Redundancy | 1.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 * | Battistutta, R., (2000) J.Biol.Chem., 275, 29618. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 3 (mg/ml) | |
| 2 | 1 | drop | 167 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 8.3 (mM) | |
| 4 | 1 | drop | 2-mercaptoethanol | 2 (mM) | |
| 5 | 1 | drop | ATP | 2 (mM) | |
| 6 | 1 | drop | 0.5 (mM) | ||
| 7 | 1 | reservoir | PEG4000 | 25 (%) | |
| 8 | 1 | reservoir | sodium acetate | 200 (mM) | |
| 9 | 1 | reservoir | Tris-HCl | 100 (mM) |
