4L0B
Tankyrase 2 in complex with 4'-dimethylamino flavone
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 | 2013-02-09 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9334 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.270, 97.970, 118.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.280 - 1.800 |
R-factor | 0.16653 |
Rwork | 0.165 |
R-free | 0.19360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u9h |
RMSD bond length | 0.013 |
RMSD bond angle | 1.568 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.280 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.059 | 0.667 |
Number of reflections | 49258 | |
<I/σ(I)> | 16.73 | 2.06 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.72 | 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 |