3P0N
Human Tankyrase 2 - Catalytic PARP domain in complex with an inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97908 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.300, 98.214, 118.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.380 - 1.900 |
R-factor | 0.16135 |
Rwork | 0.160 |
R-free | 0.19501 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kr7 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.737 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.380 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.062 | 0.183 |
Number of reflections | 42208 | |
<I/σ(I)> | 23.7 | 10.2 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 7.2 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 21% PEG3350, 0.2M ammonium sulfate, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |