4TJU
Crystal Structure of human Tankyrase 2 in complex with 3,4-CPQ-5-C.
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 | CCD |
Collection date | 2009-08-12 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.140, 79.490, 153.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.680 - 1.570 |
R-factor | 0.1939 |
Rwork | 0.194 |
R-free | 0.22050 |
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] | 79.490 | 79.490 | 1.600 |
High resolution limit [Å] | 1.570 | 4.480 | 1.570 |
Rmerge | 0.056 | 0.024 | 0.600 |
Total number of observations | 794005 | ||
Number of reflections | 117003 | 5877 | 3338 |
<I/σ(I)> | 19.91 | 65.16 | 1.6 |
Completeness [%] | 92.1 | 99.7 | 71.4 |
Redundancy | 6.16 | 6.82 | 2.74 |
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 |