3OTN

Crystal structure of a SusD superfamily protein (BDI_3964) from Parabacteroides distasonis ATCC 8503 at 1.95 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	2010-07-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97918,0.97896
Spacegroup name	P 21 21 21
Unit cell lengths	74.740, 92.479, 152.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.370 - 1.950
R-factor	0.146
Rwork	0.144
R-free	0.19060
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.451
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.370	29.370	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge		0.048	0.699
Total number of observations		3210	21224
Number of reflections	76628
<I/σ(I)>	7.7	18.2	2
Completeness [%]	99.2	91.9	100
Redundancy	3.8	3.6	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.17M sodium acetate, 25.3% polyethylene glycol 4000, 15.0% Glycerol, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K