4UFU
Crystal structure of human tankyrase 2 in complex with TA-12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-20 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 90.410, 98.620, 118.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.040 - 2.100 |
R-factor | 0.17117 |
Rwork | 0.169 |
R-free | 0.21366 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.012 |
RMSD bond angle | 1.448 |
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 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.990 |
Number of reflections | 31180 | |
<I/σ(I)> | 12.1 | 1.99 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.6 | 6.6 |
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 |