4GZV

Crystal structure of a lipocalin family protein (BACOVA_00364) from Bacteroides ovatus ATCC 8483 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	2012-05-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.9792,0.97905
Spacegroup name	P 1
Unit cell lengths	44.781, 66.323, 109.737
Unit cell angles	88.23, 82.26, 74.75

Refinement procedure

Resolution	29.850 - 1.950
R-factor	0.19043
Rwork	0.189
R-free	0.22034
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.804
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.850	29.849	2.000
High resolution limit [Å]	1.950	8.720	1.950
Rmerge		0.042	0.445
Rmeas	0.087	0.052	0.628
Rpim	0.049	0.030	0.442
Total number of observations	250141	2749	12617
Number of reflections	86141
<I/σ(I)>	10.5	33.7	1.8
Completeness [%]	97.8	96.1	96.7
Redundancy	2.9	2.9	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.085M tris hydrochloride pH 8.5, 15% glycerol, 25.5% polyethylene glycol 4000, 0.17M sodium acetate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K