6QCH

Human Sirt6 in complex with ADP-ribose and the activator cyanidin

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	91.387, 91.387, 143.806
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.690 - 2.100
R-factor	0.16517
Rwork	0.163
R-free	0.19964
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mf6
RMSD bond length	0.012
RMSD bond angle	1.950
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]	47.940	2.220
High resolution limit [Å]	2.100	2.100
Rmeas	0.160	1.840
Number of reflections	39771	6379
<I/σ(I)>	11	1.3
Completeness [%]	99.9	99.5
Redundancy	11.3	11.3
CC(1/2)	0.998	0.634

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