4IF6

Structure of NAD-dependent protein deacetylase sirtuin-1 (closed state, 2.25 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	2012-12-06
Detector	PSI PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 32 2 1
Unit cell lengths	92.662, 92.662, 97.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.652 - 2.250
R-factor	0.1587
Rwork	0.156
R-free	0.18720
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.815
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	2.330
High resolution limit [Å]	2.250	4.830	2.250
Rmerge	0.114	0.113	0.326
Number of reflections	23090
<I/σ(I)>	11
Completeness [%]	98.7	99.2	92.7
Redundancy	9.8	9.4	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	294	100 mM Tris-HCl, 10 % (w/v) PEG 20,000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 294K