5KPK
Glycogen Synthase Kinase 3 beta Complexed with BRD0209
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.367, 67.709, 67.558 |
| Unit cell angles | 79.56, 88.18, 76.50 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.1699 |
| Rwork | 0.167 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.903 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
| Rmerge | 0.071 | 0.038 | 0.506 |
| Total number of observations | 156205 | ||
| Number of reflections | 41861 | ||
| <I/σ(I)> | 9.8 | ||
| Completeness [%] | 98.0 | 99.3 | 94.4 |
| Redundancy | 3.7 | 3.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | Reservoir: 0.15 M DL-malic acid, pH 7.0, 20% w/v PEG3350 |
