4MSK
Co-crystal structure of tankyrase 1 with compound 34
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 158.226, 79.781, 85.536 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.300 |
Rwork | 0.239 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.300 |
Number of reflections | 48456 |
Completeness [%] | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 0.2/0.4 M Di Ammonium Tartrate, 12.5-25% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K, pH 5.0 |