4HL5
Complex structure of human tankyrase 2 with 7-hydroxy -4'-methoxyflavone
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 | P 41 21 2 |
| Unit cell lengths | 67.100, 67.100, 117.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.450 - 2.200 |
| R-factor | 0.21006 |
| Rwork | 0.208 |
| R-free | 0.24195 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u9h |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.411 |
| 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] | 47.450 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.159 | 0.826 |
| Number of reflections | 14262 | |
| <I/σ(I)> | 9.19 | 2.06 |
| Completeness [%] | 99.6 | 94.9 |
| Redundancy | 7.6 | 7.5 |
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 |
