4TKG
Crystal Structure of human Tankyrase 2 in complex with AZD2281.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-06-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.790, 79.390, 153.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.550 - 1.950 |
R-factor | 0.1857 |
Rwork | 0.185 |
R-free | 0.21620 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS (2005/3) |
Refinement software | BUSTER-TNT (BUSTER 2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.230 | 44.230 | 1.990 |
High resolution limit [Å] | 1.950 | 5.440 | 1.950 |
Rmerge | 0.068 | 0.036 | 0.612 |
Total number of observations | 452719 | ||
Number of reflections | 66741 | 3340 | 2952 |
<I/σ(I)> | 15.03 | 41.01 | 2.19 |
Completeness [%] | 99.9 | 99.6 | 100 |
Redundancy | 6.7 | 6.03 | 6.39 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M NaCl, 0.1M Sodium, Hepes buffer at pH7.5, 12-15% iso-propanol |