4J21
Tankyrase 2 in complex with 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2012-02-10 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.695, 67.695, 116.515 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 116.000 - 1.930 |
R-factor | 0.2031 |
Rwork | 0.201 |
R-free | 0.25190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kr7 |
RMSD bond length | 0.024 |
RMSD bond angle | 1.799 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 116.510 |
High resolution limit [Å] | 1.900 |
Number of reflections | 20869 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | vapour diffusion, hanging drop | 8.5 | 277 | 17% PEG 3350, 0.2M Ammonium sulphate, 0.1M Tris pH 8.5, vapour diffusion, hanging drop, temperature 277K |