4X3P

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	2014-05-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97930
Spacegroup name	P 1 21 1
Unit cell lengths	37.606, 77.700, 56.473
Unit cell angles	90.00, 97.73, 90.00

Refinement procedure

Resolution	30.480 - 1.800
R-factor	0.155
Rwork	0.154
R-free	0.17320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x3o
RMSD bond length	0.013
RMSD bond angle	1.446
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.073	0.044	0.489
Rmeas	0.086	0.052	0.577
Rpim	0.045	0.028	0.302
Total number of observations	109584
Number of reflections	29676
<I/σ(I)>	11.1
Completeness [%]	99.5	96.1	100
Redundancy	3.7	3.5	3.7
CC(1/2)		0.993	0.750

Crystallization Conditions

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