4HLK
Crystal structure of Tankyrase 2 in complex with 4'-methylflavone
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 | C 2 2 21 |
Unit cell lengths | 93.970, 95.570, 118.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.330 - 2.000 |
R-factor | 0.18584 |
Rwork | 0.184 |
R-free | 0.21481 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u9h |
RMSD bond length | 0.012 |
RMSD bond angle | 1.507 |
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] | 44.330 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.126 | 0.841 |
Number of reflections | 35646 | |
<I/σ(I)> | 10.47 | 1.88 |
Completeness [%] | 98.2 | 78.1 |
Redundancy | 4.2 | 4.2 |
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 |