4OA7
Crystal structure of Tankyrase1 in complex with IWR1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 62 |
| Unit cell lengths | 107.936, 107.936, 121.921 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.408 - 2.301 |
| R-factor | 0.2283 |
| Rwork | 0.225 |
| R-free | 0.28310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rf5 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.768 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | CCP4 |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 35614 | |
| Completeness [%] | 99.7 | 94.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M Bis-Tris, 0.2 M MgCl2 and 25% PEG3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
