4BUU
Crystal structure of human tankyrase 2 in complex with (4-(4-oxo-3,4- dihydroquinazolin-2-yl)phenyl)methanesulfonamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-24 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 91.440, 98.150, 118.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.140 - 1.600 |
R-factor | 0.16013 |
Rwork | 0.159 |
R-free | 0.18826 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.008 |
RMSD bond angle | 1.327 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 | 0.630 |
Number of reflections | 64830 | |
<I/σ(I)> | 14.34 | 2.38 |
Completeness [%] | 91.9 | 95.1 |
Redundancy | 4.5 | 4.2 |
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, 22% PEG3350, PH 8.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 277K |