4JT9
Crystal Structure of human SIRT3 with ELT inhibitor 3 [14-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Spacegroup name | P 65 |
Unit cell lengths | 120.464, 120.464, 44.468 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.430 - 2.240 |
R-factor | 0.19984 |
Rwork | 0.197 |
R-free | 0.24693 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.270 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 39.430 |
High resolution limit [Å] | 2.240 |
Number of reflections | 16756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |