2H4J

Sir2-deacetylated peptide (from enzymatic turnover in crystal)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-07
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	46.049, 59.683, 107.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.19999
Rwork	0.198
R-free	0.24619
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1yc5
RMSD bond length	0.019
RMSD bond angle	1.744
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.100
Number of reflections	16973
<I/σ(I)>	20.3
Completeness [%]	99.9
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.6	293	CHES, PEG3350, PH9.6, acetylated peptide. Crystals were soaked in cryo + 5mM NAD, VAPOR DIFFUSION, HANGING DROP, temperature 293K