5Y2F
Human SIRT6 in complex with allosteric activator MDL-801
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-08-06 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97857 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 162.422, 162.422, 162.422 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 114.850 - 2.530 |
R-factor | 0.17724 |
Rwork | 0.175 |
R-free | 0.21664 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.576 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 114.850 | 2.660 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmerge | 0.137 | |
Number of reflections | 24828 | 3578 |
<I/σ(I)> | 30.8 | |
Completeness [%] | 98.7 | 100 |
Redundancy | 42.7 | 41.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291.15 | 0.2 M (NH4)2SO4, 0.1 M Mes pH 6.5, 20% W/v PEG 8000 |