2OW3
Glycogen synthase kinase-3 beta in complex with bis-(indole)maleimide pyridinophane inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-31 |
| Detector | MAR CCD 165 mm |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.472, 117.329, 69.461 |
| Unit cell angles | 90.00, 103.22, 90.00 |
Refinement procedure
| Resolution | 67.570 - 2.800 |
| R-factor | 0.24794 |
| Rwork | 0.246 |
| R-free | 0.29483 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | previously derived model (originally from 1H8F) |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.033 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.600 | 3.020 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.115 | 0.085 |
| Number of reflections | 25427 | |
| <I/σ(I)> | 5.4 | 1.3 |
| Completeness [%] | 95.1 | 79.8 |
| Redundancy | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9 | PEG2000, BICINE pH9.0 |
