6V6L
Co-structure of human glycogen synthase kinase beta with 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-11-01 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.080, 64.760, 58.250 |
| Unit cell angles | 90.00, 100.13, 90.00 |
Refinement procedure
| Resolution | 24.170 - 2.190 |
| R-factor | 0.204 |
| Rwork | 0.203 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6b8j |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.040 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | CNS |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.010 | 2.250 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmerge | 0.109 | 0.614 |
| Number of reflections | 20146 | 1514 |
| <I/σ(I)> | 7.3 | |
| Completeness [%] | 96.9 | |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 7-12% (w:v) PEG 6000 and 5-8% MPD (v:v) |
