4ZZJ

SIRT1/Activator/Substrate Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	I 41 2 2
Unit cell lengths	94.510, 94.510, 356.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.680 - 2.740
R-factor	0.1844
Rwork	0.182
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3GLU and 4IG9
RMSD bond length	0.005
RMSD bond angle	0.938
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	91.360	2.860
High resolution limit [Å]	2.740	2.740
Rmerge	0.082	0.829
Number of reflections	21821
<I/σ(I)>	20.7	3.3
Completeness [%]	99.5	99.4
Redundancy	9.6	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	5% v/v Tacsimate, pH .00.1 M HEPES pH 7.0 and 10% w/v PEG 5000 MME