4BJC
Crystal structure of human tankyrase 2 in complex with Rucaparib
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-09 |
Detector | DECTRIS PILATUS 2M |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 65.300, 65.300, 122.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.200 - 2.200 |
R-factor | 0.19714 |
Rwork | 0.195 |
R-free | 0.24718 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.005 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.260 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.110 | 0.880 |
Number of reflections | 13938 | |
<I/σ(I)> | 15.6 | 2.6 |
Completeness [%] | 98.6 | 99.4 |
Redundancy | 12.6 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.2 M LISO4, 0.1 M TRIS HCL, 22% PEG3350, PH 8.5 |