6HOY

Human Sirt6 in complex with ADP-ribose and the inhibitor trichostatin A

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	2018-07-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 63
Unit cell lengths	91.291, 91.291, 143.681
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.650 - 1.700
R-factor	0.15526
Rwork	0.154
R-free	0.18465
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mf6
RMSD bond length	0.015
RMSD bond angle	2.186
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0232)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.890	1.800
High resolution limit [Å]	1.700	1.700
Rmeas	0.150	2.470
Number of reflections	74416	11954
<I/σ(I)>	10.56	0.87
Completeness [%]	99.9	99.6
Redundancy	11.4	11.6
CC(1/2)	0.998	0.436

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