4BUF
Crystal structure of human tankyrase 2 in complex with 2-(4- acetylphenyl)-3,4-dihydroquinazolin-4-one
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-06-26 |
| Detector | BRUKER |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.655, 97.384, 117.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.740 - 2.500 |
| R-factor | 0.20305 |
| Rwork | 0.200 |
| R-free | 0.26221 |
| Structure solution method | OTHER |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.212 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.000 | 2.580 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.090 | 0.270 |
| Number of reflections | 17883 | |
| <I/σ(I)> | 10.1 | 2.89 |
| Completeness [%] | 96.3 | 69.4 |
| Redundancy | 2.89 | 1.24 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2 M LISO4, 0.1 M TRIS HCL, 22% PEG3350, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |
