8BL0
Human Sirt6 in complex with the inhibitor S6023 and ADP-ribose
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) | 0.9184 |
Spacegroup name | P 63 |
Unit cell lengths | 91.563, 91.563, 142.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.780 - 1.820 |
R-factor | 0.2027 |
Rwork | 0.201 |
R-free | 0.23930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mf6 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.503 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.560 | 1.930 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmeas | 0.180 | 3.260 |
Number of reflections | 59922 | 9177 |
<I/σ(I)> | 11.74 | 0.83 |
Completeness [%] | 99.0 | 94.1 |
Redundancy | 16.7 | 16.1 |
CC(1/2) | 0.998 | 0.467 |
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 |