4HLM
Crystal structure of Tankyrase 2 in complex with 3',4'-Dihydroxyflavone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.93927 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 93.970, 95.570, 118.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.860 - 1.950 |
R-factor | 0.18115 |
Rwork | 0.180 |
R-free | 0.20642 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u9h |
RMSD bond length | 0.011 |
RMSD bond angle | 1.427 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.860 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.066 | 0.408 |
Number of reflections | 39020 | |
<I/σ(I)> | 16.47 | 4.07 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.86 | 4.88 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2 M LiSO4, 0.1 M Tris HCl 24 % PEG3350 , pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |