4IG9

Structure of NAD-dependent protein deacetylase sirtuin-1 (open state, 2.64 A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-04
Detector	PSI PILATUS 6M
Wavelength(s)	1.26760
Spacegroup name	P 43 21 2
Unit cell lengths	115.781, 115.781, 350.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.941 - 2.640
R-factor	0.2283
Rwork	0.227
R-free	0.26280
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.630
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.740
High resolution limit [Å]	2.640	5.670	2.640
Rmerge	0.088	0.048	0.943
Number of reflections	68583
<I/σ(I)>	9.2
Completeness [%]	97.1	98.3	92.8
Redundancy	7.9	7.9	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	294	20 mM TRIS-HCl, 10 % PEG 20,000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K