4JJA

Crystal structure of a DUF1343 family protein (BF0379) from Bacteroides fragilis NCTC 9343 at 1.30 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-17
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	56.655, 47.702, 59.732
Unit cell angles	90.00, 98.57, 90.00

Refinement procedure

Resolution	29.686 - 1.300
R-factor	0.1206
Rwork	0.119
R-free	0.15100
Structure solution method	SAD
RMSD bond length	0.017
RMSD bond angle	1.755
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.686	29.686	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge		0.068	0.491
Total number of observations		3233	14193
Number of reflections	75685
<I/σ(I)>	7.5	9.7	1.5
Completeness [%]	97.7	98.6	83.7
Redundancy	3.6	3.5	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	1.0M lithium chloride, 20.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K