8QT2

Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-22
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	36.041, 73.370, 55.119
Unit cell angles	90.00, 95.41, 90.00

Refinement procedure

Resolution	54.870 - 1.650
R-factor	0.1714
Rwork	0.170
R-free	0.19680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.805
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.870	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.068	0.692
Rmeas	0.074	0.755
Rpim	0.030	0.297
Total number of observations	208487
Number of reflections	33906	1689
<I/σ(I)>	14.4	2.5
Completeness [%]	98.5
Redundancy	6.1	6.4
CC(1/2)	0.999	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	26.5 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.5.