5OJN

Sirtuin 4 from Xenopus tropicalis in complex with thioacetyl-ADP-ribose

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)	0.976250
Spacegroup name	C 2 2 21
Unit cell lengths	68.970, 74.880, 109.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.740 - 1.800
R-factor	0.15787
Rwork	0.155
R-free	0.20883
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5oj7
RMSD bond length	0.029
RMSD bond angle	2.438
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.055	1.040
Number of reflections	26585	1932
<I/σ(I)>	18.3	2.1
Completeness [%]	99.7	99.9
Redundancy	6.8	7.1
CC(1/2)	0.999	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.5 M Na/K-tartrate 0.5% PEG5000MME 0.1 M Tris