2RF5
Crystal structure of human tankyrase 1- catalytic PARP domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-05-16 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97981 |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 79.950, 81.240, 82.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.440 - 2.300 |
| R-factor | 0.1971 |
| Rwork | 0.193 |
| R-free | 0.25047 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pqf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.336 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.166 | 0.470 |
| Number of reflections | 12043 | |
| <I/σ(I)> | 13.39 | 4.21 |
| Completeness [%] | 97.8 | 99.9 |
| Redundancy | 9 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | 18% PEG 3350, 0.18M Mg formate, 3% Hexanediol, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
