9VEW

SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 1 21 1
Unit cell lengths	37.919, 76.608, 55.707
Unit cell angles	90.00, 97.36, 90.00

Refinement procedure

Resolution	55.309 - 2.680
Rwork	0.182
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x3o
RMSD bond length	0.007
RMSD bond angle	1.643
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.310	2.810
High resolution limit [Å]	2.680	2.680
Number of reflections	8852	1158
<I/σ(I)>	10.6	3.4
Completeness [%]	98.8
Redundancy	6.9
CC(1/2)	0.995	0.922

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	Tris 8.0, 25% PEG 2000MME