4ACD
GSK3b in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 173 |
| Detector technology | CCD |
| Detector | BRUKER |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 83.319, 84.989, 177.669 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.220 - 2.600 |
| R-factor | 0.1803 |
| Rwork | 0.178 |
| R-free | 0.22630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.170 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | BUSTER (2.11.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.000 | 2.740 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.080 | 0.720 |
| Number of reflections | 34093 | |
| <I/σ(I)> | 19.3 | 2.2 |
| Completeness [%] | 87.4 | 88.6 |
| Redundancy | 4.5 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
