6XV1
Human Sirt6 13-308 in complex with ADP-ribose and the activator MDL-801
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 | 2019-09-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 63 |
Unit cell lengths | 91.175, 91.175, 143.584 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.590 - 1.950 |
R-factor | 0.1502 |
Rwork | 0.150 |
R-free | 0.16450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3k35 |
RMSD bond length | 0.017 |
RMSD bond angle | 2.121 |
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] | 47.860 | 2.070 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmeas | 0.160 | 1.610 |
Number of reflections | 49197 | 7868 |
<I/σ(I)> | 11.3 | 1.7 |
Completeness [%] | 99.9 | 99.4 |
Redundancy | 11.5 | 11.4 |
CC(1/2) | 0.997 | 0.546 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293 | 100 mM Bis-Tris pH 5.7, 1.6 M (NH4)2SO4, and 10% PEG 400 |