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 |