4GDZ

Crystal structure of a DUF4251 family protein (BACEGG_02002) from Bacteroides eggerthii DSM 20697 at 1.95 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	2012-07-05
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 41 3 2
Unit cell lengths	125.801, 125.801, 125.801
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.861 - 1.950
R-factor	0.1642
Rwork	0.163
R-free	0.18380
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.515
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.861	28.861	2.020
High resolution limit [Å]	1.950	4.190	1.950
Rmerge	0.064	0.013	0.013
Number of reflections	25404	4731	4676
<I/σ(I)>	19.25	57.2	1.7
Completeness [%]	99.9	99.2	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1.60M magnesium sulfate, 0.1M MES pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K