4QE0

Crystal structure of a DUF5043 family protein (BACUNI_01052) from Bacteroides uniformis ATCC 8492 at 1.85 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-18
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	I 41 2 2
Unit cell lengths	103.299, 103.299, 190.168
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.363 - 1.850
R-factor	0.1563
Rwork	0.155
R-free	0.17530
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.426
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.363		1.920
High resolution limit [Å]	1.850	3.980	1.850
Rmerge	0.092	0.015	0.015
Number of reflections	44188	8434	8827
<I/σ(I)>	14.45	41	1.7
Completeness [%]	100.0	99.7	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.83	277	1.75M ammonium sulfate, 4.0% (+)-1,3 Butanediol, 0.1M sodium citrate - citric acid pH 4.83, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K