3U9Y
Crystal structure of human tankyrase 2 catalytic domain in complex with olaparib
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 | 2011-02-25 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93340 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 66.560, 66.560, 115.920 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.610 - 2.300 |
R-factor | 0.18533 |
Rwork | 0.181 |
R-free | 0.23353 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kr7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.397 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.610 | 2.360 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.113 | 0.601 |
Number of reflections | 12156 | |
<I/σ(I)> | 16.41 | 3.39 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7 | 7.2 |
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 |