7CL0

Crystal structure of human SIRT6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2019-01-04
Detector	RDI CMOS_8M
Wavelength(s)	1.0000
Spacegroup name	P 41 3 2
Unit cell lengths	161.795, 161.795, 161.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	114.410 - 2.530
R-factor	0.2085
Rwork	0.206
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x16
RMSD bond length	0.018
RMSD bond angle	2.075
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.410	2.620
High resolution limit [Å]	2.530	2.530
Number of reflections	24693	2416
<I/σ(I)>	24
Completeness [%]	100.0
Redundancy	22.4
CC(1/2)	0.995	0.836

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