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 (%) |