3PNX

Crystal structure of a putative sulfurtransferase dsrE (Swol_2425) from Syntrophomonas wolfei str. Goettingen at 1.92 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	CCD
Collection date	2010-04-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97960,0.97925
Spacegroup name	C 1 2 1
Unit cell lengths	100.416, 76.504, 127.652
Unit cell angles	90.00, 93.08, 90.00

Refinement procedure

Resolution	29.453 - 1.920
R-factor	0.1909
Rwork	0.190
R-free	0.21520
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.218
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.453	29.453	1.990
High resolution limit [Å]	1.920	4.130	1.920
Rmerge	0.027	0.014	0.566
Number of reflections	72995	13769	13916
<I/σ(I)>	15.37	47.5	1.4
Completeness [%]	95.7	94.4	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.67	277	0.80M sodium chloride, 24.00% polyethylene glycol 600, 10.00% Glycerol, 0.1M sodium cacodylate pH 6.67, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K