9V7W

SIRT2 structure in complex with H3K18myr peptide and native NAD: pre-catalysis state 3

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	2024-10-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97861
Spacegroup name	P 1 21 1
Unit cell lengths	37.760, 76.570, 55.940
Unit cell angles	90.00, 97.88, 90.00

Refinement procedure

Resolution	44.930 - 1.860
Rwork	0.186
R-free	0.23140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.846
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]	44.930	1.900
High resolution limit [Å]	1.860	1.860
Number of reflections	31715	1522
<I/σ(I)>	10.4
Completeness [%]	90.8
Redundancy	5.8
CC(1/2)	0.999	0.290

Crystallization Conditions

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