3G6I

Crystal structure of an outer membrane protein, part of a putative carbohydrate binding complex (bt_1022) from bacteroides thetaiotaomicron vpi-5482 at 1.93 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	2009-01-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97964, 0.97949
Spacegroup name	P 43 21 2
Unit cell lengths	75.025, 75.025, 127.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.970 - 1.930
R-factor	0.198
Rwork	0.197
R-free	0.22300
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.370
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]	48.970	48.970	2.000
High resolution limit [Å]	1.930	4.150	1.930
Rmerge	0.119	0.050	1.556
Number of reflections	28120	3073	2766
<I/σ(I)>	14.99	39.5	1.5
Completeness [%]	100.0	99.7	100
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.67	277	NANODROP, 0.25M Lithium sulfate, 34.0% PEG 4000, 0.1M Tris-HCl pH 8.67, VAPOR DIFFUSION, SITTING DROP, temperature 277K