8CNM
Human Sirt6 in complex with the inhibitor S6020 and ADP-ribose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.3 |
Synchrotron site | BESSY |
Beamline | 14.3 |
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 | 91.359, 91.359, 142.962 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.680 - 1.880 |
R-factor | 0.19382 |
Rwork | 0.193 |
R-free | 0.22691 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.577 |
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] | 47.650 | 1.990 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmeas | 0.160 | 2.810 |
Number of reflections | 109024 | 17490 |
<I/σ(I)> | 7.56 | 0.72 |
Completeness [%] | 99.7 | |
Redundancy | 5.5 | |
CC(1/2) | 0.995 | 0.365 |
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 |