4TOR
Crystal structure of Tankyrase 1 with IWR-8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-03-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791516 |
Spacegroup name | P 62 |
Unit cell lengths | 108.382, 108.382, 122.215 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.370 - 1.501 |
R-factor | 0.1786 |
Rwork | 0.177 |
R-free | 0.20680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kr8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.072 |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 128452 | |
<I/σ(I)> | 26.3 | 1.3 |
Completeness [%] | 99.1 | 89.3 |
Redundancy | 6.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293.15 | 0.1M Bis-Tris propane, 0.2M sodium bromide, 25% PEG3350 |