8HLW

Crystal structure of SIRT3 in complex with H4K16la peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2021-02-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97847
Spacegroup name	P 65
Unit cell lengths	97.449, 97.449, 53.583
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.240 - 2.500
R-factor	0.1932
Rwork	0.188
R-free	0.24310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.597
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.240	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.037	0.188
Rmeas	0.052	0.267
Rpim		0.188
Number of reflections	19276	1630
<I/σ(I)>	28.75	4.26
Completeness [%]	99.8	98.61
Redundancy	1.9	1.6
CC(1/2)	0.996	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	0.1 M Tris pH 8.5, 25% (w/v) Polyethylene glycol 3350