9VEM

SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 1

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	37.859, 76.409, 55.640
Unit cell angles	90.00, 97.29, 90.00

Refinement procedure

Resolution	55.251 - 2.570
Rwork	0.187
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x3o
RMSD bond length	0.005
RMSD bond angle	1.498
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]	55.251	2.680
High resolution limit [Å]	2.570	2.570
Number of reflections	10021	1234
<I/σ(I)>	7.1
Completeness [%]	99.2
Redundancy	6.9
CC(1/2)	0.991	0.767

Crystallization Conditions

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