4BUW
Crystal structure of human tankyrase 2 in complex with 2-(4-(2-oxo-1, 3-oxazolidin-3-yl)phenyl)-3,4-dihydroquinazolin-4-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-20 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.150, 98.030, 118.610 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.010 - 1.850 |
R-factor | 0.15477 |
Rwork | 0.153 |
R-free | 0.19246 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.571 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.070 | 0.640 |
Number of reflections | 45417 | |
<I/σ(I)> | 16.1 | 2.23 |
Completeness [%] | 99.6 | 96.5 |
Redundancy | 4.8 | 3.5 |
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, 22% PEG3350, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |