4KZQ
Crystal structure of human tankyrase 2 in complex with 4' -hydroxy flavone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-02-09 |
Detector | Pilatus 2M |
Wavelength(s) | 0.920 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 92.800, 97.460, 117.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.940 - 2.250 |
R-factor | 0.17729 |
Rwork | 0.175 |
R-free | 0.22734 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u9h |
RMSD bond length | 0.013 |
RMSD bond angle | 1.533 |
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] | 29.940 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.113 | 0.654 |
Number of reflections | 25559 | |
<I/σ(I)> | 14.07 | 2.4 |
Completeness [%] | 99.5 | 96.6 |
Redundancy | 6.63 | 5.02 |
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 |