4EIU

Crystal structure of a DUF3823 family protein (BACUNI_03093) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-13
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 41 21 2
Unit cell lengths	83.895, 83.895, 112.365
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.661 - 1.900
R-factor	0.1803
Rwork	0.179
R-free	0.20650
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.675
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.661	29.661	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge		0.064	0.972
Total number of observations		3869	27977
Number of reflections	32310
<I/σ(I)>	12.4	10.4	2.6
Completeness [%]	99.9	94.9	100
Redundancy	11.9	9.3	11.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	50.0% polyethylene glycol 200, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K