5Z93

Crystal Structure of SIRT3 in complex with H3K9bhb peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	33.361, 86.025, 88.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.214 - 1.945
R-factor	0.166
Rwork	0.161
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.829
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.945	1.950
Number of reflections	19211
<I/σ(I)>	24.7
Completeness [%]	99.2
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1M MES pH 6.5, 25% PEG 1000