9VG3

SIRT2 structure in complex with H3K18myr peptide: pre NAD binding state

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	35.508, 72.528, 53.921
Unit cell angles	90.00, 95.27, 90.00

Refinement procedure

Resolution	53.751 - 2.150
Rwork	0.196
R-free	0.25110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x3o
RMSD bond length	0.006
RMSD bond angle	1.573
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PARROT
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.751	2.210
High resolution limit [Å]	2.150	2.150
Number of reflections	14755	1240
<I/σ(I)>	11.9
Completeness [%]	99.0
Redundancy	6.9
CC(1/2)	0.997	0.876

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	Tris 8.0, 25% PEG2000MME