4GBS

Crystal structure of a putative lipoprotein (BF2707) from Bacteroides fragilis NCTC 9343 at 2.75 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-31
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795,0.9184
Spacegroup name	P 41 2 2
Unit cell lengths	66.009, 66.009, 263.457
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.676 - 2.480
R-factor	0.1983
Rwork	0.197
R-free	0.22510
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.676	46.676	2.570
High resolution limit [Å]	2.480	5.310	2.480
Rmerge	0.072	0.050	1.170
Rmeas	0.078	0.055	1.269
Total number of observations	137544
Number of reflections	21701	2441	2133
<I/σ(I)>	14.65	30	1.7
Completeness [%]	99.6	98.3	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	277	2.40M ammonium sulfate, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K