8AK6
Human Sirt6 in complex with ADP-ribose and fragment sulfamethoxazole
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 | 2017-09-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | P 63 |
Unit cell lengths | 90.995, 90.995, 144.163 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.500 - 1.980 |
R-factor | 0.1828 |
Rwork | 0.181 |
R-free | 0.22170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mf6 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.570 |
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] | 48.050 | 2.100 |
High resolution limit [Å] | 1.980 | 1.980 |
Rmeas | 0.170 | 3.100 |
Number of reflections | 46949 | 7513 |
<I/σ(I)> | 13.2 | 0.84 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 11.5 | 11.6 |
CC(1/2) | 0.999 | 0.340 |
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 |