4KZL
Crystal structure of human tankyrase 2 in complex with 4'-fluoro flavone
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 | 91.440, 98.260, 118.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.160 - 2.000 |
| R-factor | 0.17431 |
| Rwork | 0.172 |
| R-free | 0.21597 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9h |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.642 |
| 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] | 29.160 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.131 | 0.811 |
| Number of reflections | 36429 | |
| <I/σ(I)> | 13.82 | 2.45 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 6.62 | 6.79 |
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 |
