4O2T

Crystal structure of a DUF4827 family protein (BDI_1692) from Parabacteroides distasonis ATCC 8503 at 2.40 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	2013-11-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97953,0.97903
Spacegroup name	P 43 21 2
Unit cell lengths	92.266, 92.266, 112.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.673 - 2.400
R-factor	0.1863
Rwork	0.184
R-free	0.22390
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.368
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.673		2.480
High resolution limit [Å]	2.400	5.120	2.390
Rmerge	0.058	0.030	0.664
Number of reflections	19613	3727	3014
<I/σ(I)>	12.07	27	1.6
Completeness [%]	96.7	97.8	76.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	1.0M lithium chloride, 20.0% polyethylene glycol 6000, 0.1M citric acid pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K