5ZGC

Crystal Structure of SIRT3 in complex with H4K16bhb peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-01-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 43 21 2
Unit cell lengths	138.512, 138.512, 242.876
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.157 - 2.900
R-factor	0.2271
Rwork	0.224
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3247)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.970
High resolution limit [Å]	2.900	2.900
Rpim	0.039	0.470
Number of reflections	52894
<I/σ(I)>	13.6
Completeness [%]	99.6
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291	0.1M Bicine pH 9.0, 10% PEG 6000