8HLY

Crystal structure of SIRT3 in complex with H3K23la 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	PIXEL
Collection date	2020-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97847
Spacegroup name	P 21 21 21
Unit cell lengths	33.043, 84.763, 89.187
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.590 - 2.000
R-factor	0.1605
Rwork	0.156
R-free	0.20260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.714
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]	44.593	2.070
High resolution limit [Å]	1.998	1.998
Rmerge	0.034	0.080
Rmeas	0.048	0.113
Rpim	0.034	0.080
Number of reflections	25433	1294
<I/σ(I)>	15.12	3.48
Completeness [%]	95.9	72.33
Redundancy	1.5	1
CC(1/2)	0.996	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M BIS-TRIS pH at 6.5, 28% (w/v) Polyethylene glycol monomethyl ether 2000