7CL1
Human SIRT6 in complex with allosteric activator MDL-801 (3.2A)
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 | 2016-07-19 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97857 |
Spacegroup name | P 41 3 2 |
Unit cell lengths | 162.807, 162.807, 162.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 115.120 - 3.200 |
R-factor | 0.1749 |
Rwork | 0.172 |
R-free | 0.21960 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.519 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 115.120 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Number of reflections | 12720 | 1220 |
<I/σ(I)> | 17.5 | |
Completeness [%] | 99.7 | |
Redundancy | 10.3 | |
CC(1/2) | 0.785 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.2 M (NH4)2SO4, 0.1 M Mes pH 6.5, 20% W/v PEG 8000 |