5Y5N

Crystal structure of human Sirtuin 2 in complex with a selective inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-17
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	50.850, 57.980, 124.532
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.430 - 2.300
Rwork	0.256
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1j8f
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNX (2005 parallel (open MP))

Data quality characteristics

	Overall
Low resolution limit [Å]	42.430
High resolution limit [Å]	2.300
Number of reflections	17089
<I/σ(I)>	12.3
Completeness [%]	94.9
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	0.1M Bis-Tris buffer pH 5.5 15%(w/v) PEG5000 MME