4POI

Crystal structure of a putative periplasmic protein (BACCAC_02096) from Bacteroides caccae ATCC 43185 at 2.30 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	2013-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97895
Spacegroup name	P 42 21 2
Unit cell lengths	104.881, 104.881, 56.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.904 - 2.300
R-factor	0.2453
Rwork	0.244
R-free	0.27880
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.502
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.904	46.900	2.380
High resolution limit [Å]	2.300	4.930	2.300
Rmerge	0.037	0.021	0.275
Number of reflections	14400	1594	1353
<I/σ(I)>	38.15	80.2	7.44
Completeness [%]	99.7	98.7	99.9
Redundancy	8.56		8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	26.0% polyethylene glycol 3350, 0.20M potassium thiocyanate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K