4FTD

Crystal structure of a DUF4623 family protein (BACEGG_03550) from Bacteroides eggerthii DSM 20697 at 1.91 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795,0.9793,0.9184
Spacegroup name	C 1 2 1
Unit cell lengths	139.428, 60.391, 81.109
Unit cell angles	90.00, 91.45, 90.00

Refinement procedure

Resolution	45.537 - 1.910
R-factor	0.1551
Rwork	0.153
R-free	0.18540
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.712
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]	45.537	45.537	1.980
High resolution limit [Å]	1.910	4.100	1.910
Rmerge	0.087	0.012	0.012
Number of reflections	51287	5350	5194
<I/σ(I)>	12.68	32.8	2.1
Completeness [%]	97.6	97.8	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	277	10.00% 2-propanol, 20.00% polyethylene glycol 4000, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K