4IUE
Tankyrase in complex with 7-(2-fluorophenyl)-4-methyl-1,2-dihydroquinolin-2-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Detector technology | CCD |
Collection date | 2011-07-01 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.188, 67.188, 115.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.040 - 2.380 |
R-factor | 0.1975 |
Rwork | 0.194 |
R-free | 0.26310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kr7 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.630 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 70.000 |
High resolution limit [Å] | 2.380 |
Rmerge | 0.069 |
Number of reflections | 11124 |
Completeness [%] | 99.0 |
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 |