3P0N
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97908 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.300, 98.214, 118.684 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.380 - 1.900 |
| R-factor | 0.16135 |
| Rwork | 0.160 |
| R-free | 0.19501 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kr7 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.737 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.380 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.183 |
| Number of reflections | 42208 | |
| <I/σ(I)> | 23.7 | 10.2 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 7.2 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 21% PEG3350, 0.2M ammonium sulfate, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
