4L31
Tankyrase 2 in complex with methyl 4-(4-oxochromen-2-yl)benzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.93340 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 91.300, 97.560, 118.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.650 - 2.000 |
| R-factor | 0.17075 |
| Rwork | 0.168 |
| R-free | 0.21578 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9h |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.588 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.650 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.066 | 0.544 |
| Number of reflections | 36054 | |
| <I/σ(I)> | 17.13 | 2.48 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 3.71 | 3.73 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2 M Li2SO4, 0.1 M Tris HCl 24 % PEG3350 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
