3W51
Tankyrase in complex with 2-hydroxy-4-methylquinoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2011-02-11 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 94.276, 95.038, 116.497 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.000 |
R-factor | 0.1897 |
Rwork | 0.187 |
R-free | 0.24320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kr7 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.833 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 66.930 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.056 |
Number of reflections | 36841 |
<I/σ(I)> | 3.4 |
Completeness [%] | 98.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 17% PEG 3350, 0.2M Ammoniumsulphate, 0.1M Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |