8AKB

Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol

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	2017-09-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9184
Spacegroup name	P 63
Unit cell lengths	90.974, 90.974, 144.316
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.060 - 2.130
R-factor	0.2136
Rwork	0.211
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mf6
RMSD bond length	0.004
RMSD bond angle	1.302
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.110	2.260
High resolution limit [Å]	2.130	2.130
Rmeas	0.240	2.600
Number of reflections	37821	6010
<I/σ(I)>	6.89	0.67
Completeness [%]	99.8	98.7
Redundancy	6.8	6.4
CC(1/2)	0.993	0.310

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