6ZU4

Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin

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	2019-07-11
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 63
Unit cell lengths	91.407, 91.407, 144.277
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.700 - 2.460
R-factor	0.1548
Rwork	0.152
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k35
RMSD bond length	0.009
RMSD bond angle	1.672
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]	48.090	2.610
High resolution limit [Å]	2.460	2.460
Rmeas	0.200	1.430
Number of reflections	24896	4003
<I/σ(I)>	10.9	1.5
Completeness [%]	99.9	99.6
Redundancy	8.7	8.7
CC(1/2)	0.995	0.536

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