5Y2F

Human SIRT6 in complex with allosteric activator MDL-801

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	2016-08-06
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 41 3 2
Unit cell lengths	162.422, 162.422, 162.422
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	114.850 - 2.530
R-factor	0.17724
Rwork	0.175
R-free	0.21664
RMSD bond length	0.010
RMSD bond angle	1.576
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	114.850	2.660
High resolution limit [Å]	2.530	2.530
Rmerge	0.137
Number of reflections	24828	3578
<I/σ(I)>	30.8
Completeness [%]	98.7	100
Redundancy	42.7	41.9

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