3P0P
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-04 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54177 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.647, 97.892, 118.211 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.860 - 2.490 |
| R-factor | 0.1967 |
| Rwork | 0.189 |
| R-free | 0.26130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kr7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.9.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.000 | 2.590 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rmerge | 0.185 | 0.386 |
| Number of reflections | 18543 | |
| <I/σ(I)> | 7.6 | 2.5 |
| Completeness [%] | 99.0 | 91.5 |
| Redundancy | 6.6 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 23% PEG3350, 0.2M ammonium sulfate, 0.1M Tris-HCl, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
