4FD0

Crystal structure of a putative cell surface protein (BACCAC_03700) from Bacteroides caccae ATCC 43185 at 2.07 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97932,0.91837,0.97862
Spacegroup name	I 2 2 2
Unit cell lengths	87.241, 104.103, 153.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.029 - 2.070
R-factor	0.1781
Rwork	0.177
R-free	0.20490
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.140
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.029	46.029	2.140
High resolution limit [Å]	2.070	4.440	2.070
Rmerge	0.079	0.026	0.818
Number of reflections	42010	4274	4054
<I/σ(I)>	12.27	36.3	1.8
Completeness [%]	97.4	93.6	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.200M lithium sulfate, 2.00M ammonium sulfate, 0.1M CAPS pH 10.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K