4FZ3

Crystal structure of SIRT3 in complex with acetyl p53 peptide coupled with 4-amino-7-methylcoumarin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	H 3 2
Unit cell lengths	114.809, 114.809, 123.202
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	77.370 - 2.100
R-factor	0.21104
Rwork	0.208
R-free	0.28189
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gls
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	77.370
High resolution limit [Å]	2.100
Number of reflections	17380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	288	0.85M HEPES-NA, 8.5%(V/V) ISO-PROPANOL, 17%(W/V) PEG4000, 15%(V/V) GLYCEROL, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K