6FKY

Crystal structure of zebrafish Sirtuin 5 in complex with 3-(benzylthio)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	2016-05-06
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.918409
Spacegroup name	P 65 2 2
Unit cell lengths	87.134, 87.134, 316.677
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.510 - 2.980
R-factor	0.20163
Rwork	0.198
R-free	0.27485
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4utv
RMSD bond length	0.014
RMSD bond angle	1.872
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.160
High resolution limit [Å]	2.980	2.980
Rmeas	0.358	2.100
Number of reflections	15459	2399
<I/σ(I)>	9.8	1.3
Completeness [%]	99.8	99.1
Redundancy	15.5	16
CC(1/2)	0.994	0.513

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES pH 7.4, 20% PEG3350