5BWO

Crystal Structure of Human SIRT3 in Complex with a Palmitoyl H3K9 Peptide

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	2015-04-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	43.445, 54.636, 113.203
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.149 - 2.376
R-factor	0.2441
Rwork	0.239
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3glr
RMSD bond length	0.002
RMSD bond angle	0.569
Data scaling software	HKL-2000
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.450
High resolution limit [Å]	2.370	2.370
Number of reflections	11428
<I/σ(I)>	15.2	6.3
Completeness [%]	99.1	99.5
Redundancy	7.79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2M Ammonium formate, 20% PEG 3350