6XVG
Human Sirt6 3-318 in complex with ADP-ribose and the activator MDL-801
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-07 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.510, 136.534, 89.873 |
Unit cell angles | 90.00, 117.71, 90.00 |
Refinement procedure
Resolution | 46.390 - 2.100 |
R-factor | 0.2049 |
Rwork | 0.204 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k35 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.484 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.390 | 2.230 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.130 | 2.400 |
Number of reflections | 110958 | 17501 |
<I/σ(I)> | 15.7 | 1.1 |
Completeness [%] | 99.4 | 97.6 |
Redundancy | 14 | 14.3 |
CC(1/2) | 0.999 | 0.499 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 85 mM HEPES pH 7.5, 85 mM sodium chloride, 1.36 M (NH4)2SO4, 15% glycerol |