5BWN

Crystal Structure of SIRT3 with a H3K9 Peptide Containing a Myristoyl Lysine

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	44.102, 54.691, 117.257
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.279 - 1.942
R-factor	0.2308
Rwork	0.226
R-free	0.27450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3glt
RMSD bond length	0.007
RMSD bond angle	0.955
Data scaling software	HKL-2000
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.990
High resolution limit [Å]	1.940	1.940
Rmerge	0.077
Number of reflections	21698
<I/σ(I)>	18.2	5.2
Completeness [%]	96.0	97.8
Redundancy	11.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.2M Ammonium tartrate dibasic (pH 7.0), 20% w/v PEG 3350, 0.01M Urea