3QNK

Crystal structure of a SusD-like protein (BF3747) from Bacteroides fragilis NCTC 9343 at 2.70 A resolution

Experimental procedure

Experimental method	MAD
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	2010-10-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537,0.9795,0.9792
Spacegroup name	P 31 2 1
Unit cell lengths	146.653, 146.653, 226.178
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.898 - 2.700
R-factor	0.1848
Rwork	0.183
R-free	0.21130
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.898	29.898	2.810
High resolution limit [Å]	2.700	5.800	2.710
Rmerge	0.152	1.511	1.511
Number of reflections	77918	15211	15412
<I/σ(I)>	9.99	26.6	1.4
Completeness [%]	99.9	99.3	99.9
Redundancy	11.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.9	293	0.0730M di-sodium hydrogen phosphate, 1.6540M di-potassium hydrogen phosphate, 0.1M sodium acetate pH 3.9, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K