4O8Z
Crystal structure of human SIRT3 in complex with compound (2-butylbenzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Collection date | 2013-12-10 |
| Wavelength(s) | 0.979220 |
| Spacegroup name | P 65 |
| Unit cell lengths | 116.317, 116.317, 45.655 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 100.730 - 2.000 |
| R-factor | 0.16928 |
| Rwork | 0.167 |
| R-free | 0.20373 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gls |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.943 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.730 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.094 | 0.427 |
| Number of reflections | 24073 | |
| <I/σ(I)> | 15.1 | 4.2 |
| Redundancy | 6 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
