6QCJ
Human Sirt6 in complex with ADP-ribose and the inhibitor catechin gallate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 63 |
| Unit cell lengths | 91.917, 91.917, 144.368 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.960 - 2.010 |
| R-factor | 0.16474 |
| Rwork | 0.163 |
| R-free | 0.19853 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5mf6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.281 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.120 | 2.140 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmeas | 0.160 | 1.900 |
| Number of reflections | 45089 | 7067 |
| <I/σ(I)> | 9.7 | 1.3 |
| Completeness [%] | 98.9 | 96.2 |
| Redundancy | 10.1 | 8.5 |
| CC(1/2) | 0.996 | 0.710 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 1.6 M (NH4)2SO4, 10% PEG 400, and Bis-Tris buffer pH 5.7 |
