4L3O

Crystal Structure of SIRT2 in complex with the macrocyclic peptide S2iL5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-02
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	91.180, 135.613, 148.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.590 - 2.518
R-factor	0.2162
Rwork	0.211
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j8f
RMSD bond length	0.003
RMSD bond angle	0.619
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.518
Number of reflections	61389

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	8.5% PEG 4000, 0.1M MES-NaOH, 0.1M Li2SO4, 0.1M NaCl, pH 7.0, vapor diffusion, sitting drop, temperature 277K