4L0T
Tankyrase 2 in complex with 4'-nitro 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 | 91.980, 98.350, 118.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.890 - 2.100 |
R-factor | 0.18313 |
Rwork | 0.181 |
R-free | 0.22476 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u9h |
RMSD bond length | 0.012 |
RMSD bond angle | 1.504 |
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] | 29.890 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.182 | 0.912 |
Number of reflections | 31656 | |
<I/σ(I)> | 8.99 | 2.07 |
Completeness [%] | 99.4 | 95.9 |
Redundancy | 6.6 | 6.2 |
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 |