4HLH
Crystal structure of Tankyrase 2 in complex with 4'-fluoroflavone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93927 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.970, 98.220, 118.660 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.110 - 1.750 |
| R-factor | 0.18292 |
| Rwork | 0.181 |
| R-free | 0.21312 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.505 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.110 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.081 | 0.794 |
| Number of reflections | 53455 | |
| <I/σ(I)> | 14.15 | 2.2 |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 5.45 | 4.88 |
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 24 % PEG3350 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
