3KR7
Human tankyrase 2 - catalytic PARP domain
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 | 2009-10-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.96860 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 66.847, 66.847, 118.047 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.240 - 1.950 |
| R-factor | 0.18087 |
| Rwork | 0.179 |
| R-free | 0.21852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rf5 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.539 |
| 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] | 45.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.100 | 0.578 |
| Number of reflections | 20229 | |
| <I/σ(I)> | 18.5 | 5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.6 | 14.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 15% PEG 3350, 0.2M LithiumSulfate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
