4L33
Tankyrase 2 in complex with cyanomethyl 4-(4-oxo-4H-chromen-2-yl)benzoate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-10 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.93340 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.680, 97.940, 118.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.300 - 2.100 |
R-factor | 0.1869 |
Rwork | 0.184 |
R-free | 0.23980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u9h |
RMSD bond length | 0.012 |
RMSD bond angle | 1.509 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.300 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.122 | 0.679 |
Number of reflections | 31344 | |
<I/σ(I)> | 8.75 | 2 |
Completeness [%] | 99.6 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2 M Li2SO4, 0.1 M Tris HCl 24 % PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |