8QT4

Crystal structure of human Sirt2 in complex with the super-slow substrate TNFn-6 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	2023-04-06
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9677
Spacegroup name	P 1 21 1
Unit cell lengths	38.056, 74.847, 55.981
Unit cell angles	90.00, 96.37, 90.00

Refinement procedure

Resolution	55.640 - 1.550
R-factor	0.1605
Rwork	0.159
R-free	0.18770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.871
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]	55.640	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.078	0.795
Rmeas	0.085	0.863
Rpim	0.033	0.333
Total number of observations	287234
Number of reflections	44829	2227
<I/σ(I)>	14.2	2.8
Completeness [%]	99.1
Redundancy	6.4	6.5
CC(1/2)	0.998	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	25 % (w/v) PEG 3,350 in 0.1 M Bis-Tris pH 6.5