3U9H
Complex structure of human tankyrase 2 with nicotinamide
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 | 2011-04-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.07227 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.250, 97.750, 119.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.220 - 1.750 |
| R-factor | 0.16741 |
| Rwork | 0.166 |
| R-free | 0.19741 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kr7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.564 |
| 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] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.068 | 0.691 |
| Number of reflections | 53905 | |
| <I/σ(I)> | 18.7 | 3.05 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.3 |
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 |
