3GF6

Crystal structure of a bacterial lipoprotein (bt_1233) from bacteroides thetaiotaomicron vpi-5482 at 1.69 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-17
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	62.931, 75.541, 95.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.337 - 1.690
R-factor	0.163
Rwork	0.161
R-free	0.21100
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.498
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.337	48.337	1.750
High resolution limit [Å]	1.690	3.630	1.690
Rmerge	0.105	0.046	0.637
Number of reflections	51502	5473	5064
<I/σ(I)>	11.7	34.7	1.9
Completeness [%]	99.9	99.5	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	31.3000% polyethylene glycol 6000, 0.1M MES pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K