4L0I
Tankyrase 2 catalytic domain in complex with ethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-02-09 |
| Detector | Pilatus 2M |
| Wavelength(s) | 0.920 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 93.190, 97.440, 117.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.680 - 2.300 |
| R-factor | 0.17165 |
| Rwork | 0.169 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9h |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.514 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.680 | 2.360 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.137 | 0.542 |
| Number of reflections | 23950 | |
| <I/σ(I)> | 7.33 | 1.92 |
| Completeness [%] | 98.7 | 89.7 |
| Redundancy | 3.56 | 2.73 |
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 |
