9VH0

SIRT2-H187A structure in complex with H3K18myr peptide and native NAD

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 PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 1
Unit cell lengths	37.434, 48.130, 96.194
Unit cell angles	100.19, 91.58, 112.17

Refinement procedure

Resolution	47.129 - 2.410
Rwork	0.198
R-free	0.27330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x3o
RMSD bond length	0.006
RMSD bond angle	1.656
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.105))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.130	2.500
High resolution limit [Å]	2.410	2.410
Number of reflections	21638	2145
<I/σ(I)>	8.9
Completeness [%]	92.1
Redundancy	3.7
CC(1/2)	0.995	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	0.1 M MES 5.5, 9.2% PEG10000