4I5I

Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	110
Detector technology	CCD
Collection date	2009-10-11
Detector	RAYONIX MX225HE
Wavelength(s)	0.97929
Spacegroup name	P 32
Unit cell lengths	106.513, 106.513, 80.663
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.16878
Rwork	0.167
R-free	0.19532
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h2h
RMSD bond length	0.005
RMSD bond angle	1.195
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0017)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.200	2.640
High resolution limit [Å]	2.500	2.500
Number of reflections	35389
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	294	300 mM NDSB-195 + 100 mM MES pH 5.4 + 1500 mM Sodium Potassium Tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 294K