3W51
Tankyrase in complex with 2-hydroxy-4-methylquinoline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2011-02-11 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 94.276, 95.038, 116.497 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.1897 |
| Rwork | 0.187 |
| R-free | 0.24320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kr7 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.833 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 66.930 |
| High resolution limit [Å] | 2.000 |
| Rmerge | 0.056 |
| Number of reflections | 36841 |
| <I/σ(I)> | 3.4 |
| Completeness [%] | 98.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 17% PEG 3350, 0.2M Ammoniumsulphate, 0.1M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
