8QT3

Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-5 and NAD+

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	38.357, 74.466, 56.211
Unit cell angles	90.00, 97.30, 90.00

Refinement procedure

Resolution	44.630 - 1.550
R-factor	0.1783
Rwork	0.177
R-free	0.20090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.911
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]	55.750	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.066	0.608
Rmeas	0.071	0.655
Rpim	0.027	0.243
Total number of observations	318073
Number of reflections	44955	2219
<I/σ(I)>	15.8	3.4
Completeness [%]	98.9
Redundancy	7.1	7.2
CC(1/2)	0.997	0.879

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	24 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.0