2H2G

The Structural Basis of Sirtuin substrate affinity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2004-12-05
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	46.223, 58.149, 109.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.630
R-factor	0.198
Rwork	0.198
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.630	1.630
Rmerge	0.069	0.514
Number of reflections	37292
<I/σ(I)>	27.1	3.5
Completeness [%]	99.9	100
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	293.15	20% PEG, pH 9.6, VAPOR DIFFUSION, HANGING DROP, pH 7.5, temperature 293.15K