9VGZ

SIRT2-F96A structure in complex with H3K18myr peptide and native NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 1 21 1
Unit cell lengths	37.915, 77.134, 56.155
Unit cell angles	90.00, 97.11, 90.00

Refinement procedure

Resolution	45.210 - 2.340
Rwork	0.179
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9vem
RMSD bond length	0.007
RMSD bond angle	1.754
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.210	2.420
High resolution limit [Å]	2.340	2.340
Number of reflections	12400	1267
<I/σ(I)>	15.3
Completeness [%]	91.2
Redundancy	5.3
CC(1/2)	0.995	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	Tris 8.0, 25% PEG 2000MME