8HLW
Crystal structure of SIRT3 in complex with H4K16la 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 | CCD |
Collection date | 2021-02-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97847 |
Spacegroup name | P 65 |
Unit cell lengths | 97.449, 97.449, 53.583 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.240 - 2.500 |
R-factor | 0.1932 |
Rwork | 0.188 |
R-free | 0.24310 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.597 |
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] | 45.240 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.037 | 0.188 |
Rmeas | 0.052 | 0.267 |
Rpim | 0.188 | |
Number of reflections | 19276 | 1630 |
<I/σ(I)> | 28.75 | 4.26 |
Completeness [%] | 99.8 | 98.61 |
Redundancy | 1.9 | 1.6 |
CC(1/2) | 0.996 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1 M Tris pH 8.5, 25% (w/v) Polyethylene glycol 3350 |