4HLF
Crystal structure of Tankyrase 2 in complex with 7,3',4'-Trihydroxyflavone
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 | 91.400, 97.950, 118.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.970 - 2.150 |
R-factor | 0.17237 |
Rwork | 0.170 |
R-free | 0.21133 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u9h |
RMSD bond length | 0.013 |
RMSD bond angle | 1.518 |
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] | 48.970 | 2.210 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.109 | 0.511 |
Number of reflections | 29285 | |
<I/σ(I)> | 11.05 | 2.64 |
Completeness [%] | 99.7 | 99.5 |
Redundancy | 4.16 | 4.22 |
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 |