4FVS

Crystal structure of a putative lipoprotein (BDI_3050) from Parabacteroides distasonis ATCC 8503 at 2.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9785,0.9792,0.91162
Spacegroup name	P 21 21 2
Unit cell lengths	140.860, 154.510, 72.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.830 - 2.700
R-factor	0.1891
Rwork	0.187
R-free	0.22430
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SOLVE
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.830	29.830	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge		0.036	0.664
Total number of observations		1697	11871
Number of reflections	44235
<I/σ(I)>	10.6	17.9	1.1
Completeness [%]	99.8	91.5	99.9
Redundancy	3.7	3.3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	277	20.0% polyethylene glycol 8000, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K