4BUF
Crystal structure of human tankyrase 2 in complex with 2-(4- acetylphenyl)-3,4-dihydroquinazolin-4-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-26 |
Detector | BRUKER |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.655, 97.384, 117.545 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.740 - 2.500 |
R-factor | 0.20305 |
Rwork | 0.200 |
R-free | 0.26221 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 1.212 |
Data reduction software | SAINT |
Data scaling software | SADABS |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.000 | 2.580 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.090 | 0.270 |
Number of reflections | 17883 | |
<I/σ(I)> | 10.1 | 2.89 |
Completeness [%] | 96.3 | 69.4 |
Redundancy | 2.89 | 1.24 |
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, 22% PEG3350, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |