3UA9
Crystal structure of human tankyrase 2 in complex with a selective inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-07 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.07227 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 92.820, 93.770, 121.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.410 - 2.150 |
| R-factor | 0.20681 |
| Rwork | 0.205 |
| R-free | 0.23926 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kr7 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.456 |
| 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] | 46.410 | 2.210 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.043 | 0.393 |
| Number of reflections | 29074 | |
| <I/σ(I)> | 16.86 | 2.18 |
| Completeness [%] | 99.3 | 96.5 |
| Redundancy | 3.3 | 2.2 |
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 26 % PEG3350 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
