4HLK
Crystal structure of Tankyrase 2 in complex with 4'-methylflavone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.87260 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.970, 95.570, 118.250 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.330 - 2.000 |
| R-factor | 0.18584 |
| Rwork | 0.184 |
| R-free | 0.21481 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9h |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.507 |
| 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] | 44.330 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.126 | 0.841 |
| Number of reflections | 35646 | |
| <I/σ(I)> | 10.47 | 1.88 |
| Completeness [%] | 98.2 | 78.1 |
| Redundancy | 4.2 | 4.2 |
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 24 % PEG3350 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
