3M1S
Structure of Ruthenium Half-Sandwich Complex Bound to Glycogen Synthase Kinase 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Detector technology | CCD |
| Collection date | 2006-10-27 |
| Detector | ADSC QUANTUM 270 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.041, 86.114, 177.398 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.224 - 3.134 |
| R-factor | 0.1711 |
| Rwork | 0.169 |
| R-free | 0.22820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h8f |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.591 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 80.000 | 3.260 |
| High resolution limit [Å] | 3.134 | 3.134 |
| Rmerge | 0.148 | 0.760 |
| Number of reflections | 21365 | |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 93.0 | 95 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.2 | 298 | 100 mM Tris, 10 % PEG 8000, Seeding process, pH 7.2, EVAPORATION, temperature 298K |
