1M2Q
Crystal structure of 1,8-di-hydroxy-4-nitro-xanten-9-one/CK2 kinase complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-14 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.040, 51.730, 44.700 |
| Unit cell angles | 90.00, 99.33, 90.00 |
Refinement procedure
| Resolution | 29.070 - 1.790 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.23300 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 * |
| RMSD bond angle | 1.400 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.570 | 1.900 |
| High resolution limit [Å] | 1.790 * | 1.790 |
| Rmerge | 0.080 * | 0.200 * |
| Number of reflections | 26331 * | 2204 * |
| <I/σ(I)> | 4.63 | |
| Completeness [%] | 87.6 * | 50.2 * |
| Redundancy | 3.7 | 3.5 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG 4000, Sodium Acetate, Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | drop | PEG4000 | 10-20 (%) | |
| 3 | 1 | drop | sodium acetate | 0.2 (M) | |
| 4 | 1 | drop | Tris | 0.1 (M) | pH8.0 |
| 5 | 1 | reservoir | PEG4000 | 20 (%) |
