4MUD

Crystal structure of a ring oxydation complex/ phenylacetic acid degradation-like protein (SSO1313) from Sulfolobus solfataricus P2 at 2.43 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-05-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97941,0.97855
Spacegroup name	P 1
Unit cell lengths	52.730, 64.250, 77.010
Unit cell angles	80.29, 70.08, 86.42

Refinement procedure

Resolution	29.229 - 2.430
R-factor	0.1821
Rwork	0.181
R-free	0.20340
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SOLVE
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.229		2.520
High resolution limit [Å]	2.430	5.210	2.430
Rmerge	0.080	0.057	0.224
Number of reflections	31723	6354	6445
<I/σ(I)>	5	8.3	1.9
Completeness [%]	86.7	88.2	87.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	277	20.00% polyethylene glycol 3350, 0.200M sodium formate, No Buffer pH 7.2, Additive: 0.003 M phenylacetate, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K