3UDD
Tankyrase-1 in complex with small molecule inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2009-03-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.320, 44.690, 88.200 |
| Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
| Resolution | 44.100 - 1.950 |
| R-factor | 0.1748 |
| Rwork | 0.172 |
| R-free | 0.22490 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.020 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | BUSTER (2.11.2) |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.054 | 0.312 |
| Number of reflections | 35563 | |
| <I/σ(I)> | 3.65 | |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 3.37 | 3.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 298 | 15% PEG3350, 100MM BIS-TRIS PH5.8, 300MM AMMONIUM SULFATE, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
