3H3I

CRYSTAL STRUCTURE OF A PUTATIVE LIPID BINDING PROTEIN (BT_2261) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 2.20 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-02-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97895,0.97833
Spacegroup name	P 32 1 2
Unit cell lengths	67.383, 67.383, 186.164
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.604 - 2.200
R-factor	0.189
Rwork	0.187
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.495
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.604	29.610	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.083	0.046	0.590
Total number of observations		1937	13806
Number of reflections	25038
<I/σ(I)>	7.078	12.9	1.2
Completeness [%]	100.0	96.6	100
Redundancy	7.5	6.2	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	0.5000M (NH4)2SO4, 1.0000M Li2SO4, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K