6FLG

Crystal structure of zebrafish Sirtuin 5 in complex with 3(S)-(naphthylthio)succinyl-CPS1 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918400
Spacegroup name	P 65 2 2
Unit cell lengths	87.000, 87.000, 316.880
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.850 - 2.500
R-factor	0.24513
Rwork	0.242
R-free	0.31055
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4utv
RMSD bond length	0.008
RMSD bond angle	1.331
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.560
High resolution limit [Å]	2.500	2.500
Rmeas	0.351	8.224
Number of reflections	25573	1857
<I/σ(I)>	7.2	0.3
Completeness [%]	99.6	99.9
Redundancy	10.6	11.1
CC(1/2)	0.995	0.128

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	293	0.1 M HEPES 7.7, 20% PEG3350