5OJO

Sirtuin 5 from Danio rerio in complex with 3-hydroxy-3-methylglutaryl-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	2015-09-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918409
Spacegroup name	P 65 2 2
Unit cell lengths	87.540, 87.540, 316.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.670 - 3.100
R-factor	0.2
Rwork	0.196
R-free	0.26600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4utv
RMSD bond length	0.010
RMSD bond angle	1.539
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.200
High resolution limit [Å]	3.100	3.100
Rmerge	0.248	1.512
Number of reflections	13919	1214
<I/σ(I)>	10.2	1.6
Completeness [%]	99.9	99.9
Redundancy	10.3	10.8
CC(1/2)	0.994	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	293	0.1 M HEPES pH 7.6 20% PEG3350