8HLY
Crystal structure of SIRT3 in complex with H3K23la peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97847 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.043, 84.763, 89.187 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.590 - 2.000 |
| R-factor | 0.1605 |
| Rwork | 0.156 |
| R-free | 0.20260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.714 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.593 | 2.070 |
| High resolution limit [Å] | 1.998 | 1.998 |
| Rmerge | 0.034 | 0.080 |
| Rmeas | 0.048 | 0.113 |
| Rpim | 0.034 | 0.080 |
| Number of reflections | 25433 | 1294 |
| <I/σ(I)> | 15.12 | 3.48 |
| Completeness [%] | 95.9 | 72.33 |
| Redundancy | 1.5 | 1 |
| CC(1/2) | 0.996 | 1.000 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.1 M BIS-TRIS pH at 6.5, 28% (w/v) Polyethylene glycol monomethyl ether 2000 |
