9CBT
Crystal structure of human sirtuin 3 fragment (residues 118-399) bound to intermediates from reaction with NAD and inhibitor NH6-10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.433, 63.193, 114.608 |
| Unit cell angles | 90.00, 90.79, 90.00 |
Refinement procedure
| Resolution | 39.430 - 1.950 |
| R-factor | 0.2005 |
| Rwork | 0.198 |
| R-free | 0.23910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.430 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.100 | 0.886 |
| Rmeas | 0.121 | 1.068 |
| Rpim | 0.067 | 0.588 |
| Total number of observations | 119067 | 8478 |
| Number of reflections | 40149 | 2834 |
| <I/σ(I)> | 5.3 | 1 |
| Completeness [%] | 97.4 | 99.1 |
| Redundancy | 3 | 3 |
| CC(1/2) | 0.991 | 0.663 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 100 mM Tris, pH 7.9, 100 mM MgCl2, 20 % w/v PEG8000, and 17.5 % w/v PEG400 |
