4GL6

Crystal structure of a DUF5037 family protein (RUMGNA_01148) from Ruminococcus gnavus ATCC 29149 at 2.55 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97922
Spacegroup name	C 1 2 1
Unit cell lengths	148.653, 84.139, 53.031
Unit cell angles	90.00, 98.31, 90.00

Refinement procedure

Resolution	45.971 - 2.550
R-factor	0.1899
Rwork	0.188
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.646
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.971		2.640
High resolution limit [Å]	2.550	5.460	2.550
Rmerge	0.076	0.039	0.739
Number of reflections	21164	2208	2080
<I/σ(I)>	12.84	29	2.1
Completeness [%]	99.8	99.3	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.08M sodium cacodylate pH 6.5, 20% glycerol, 16% polyethylene glycol 8000, 0.16M magnesium acetate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K