4X3O

Sirt2 in complex with a myristoyl peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97906
Spacegroup name	P 1 21 1
Unit cell lengths	37.433, 77.594, 56.249
Unit cell angles	90.00, 97.22, 90.00

Refinement procedure

Resolution	50.000 - 1.500
R-factor	0.1229
Rwork	0.121
R-free	0.15660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.526
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	55.800	50.000	1.530
High resolution limit [Å]	1.500	4.070	1.500
Rmerge	0.069	0.050	0.506
Rmeas	0.079	0.059	0.583
Rpim	0.039	0.030	0.285
Total number of observations	208519
Number of reflections	51055
<I/σ(I)>	12.9
Completeness [%]	99.7	95.4	100
Redundancy	4.1	4	4.1
CC(1/2)		0.989	0.853

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		300	25% PEG 3350, 0.1M HEPES, 5% Glycerol