4I95

Crystal structure of a Lipocalin-like protein (BACEGG_00036) from Bacteroides eggerthii DSM 20697 at 1.81 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-16
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 63 2 2
Unit cell lengths	103.067, 103.067, 114.975
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.331 - 1.810
R-factor	0.1753
Rwork	0.174
R-free	0.20390
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.765
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.331		1.870
High resolution limit [Å]	1.810	3.890	1.810
Rmerge	0.193	0.016	0.016
Number of reflections	33477	3653	3053
<I/σ(I)>	15.74	39	2.9
Completeness [%]	100.0	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	1.0000M lithium chloride, 20.0000% polyethylene glycol 6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K