3G3L

Crystal structure of putative membrane-associated protein of unknown function (YP_211325.1) from Bacteroides fragilis NCTC 9343 at 2.20 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	2008-12-07
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 32 2 1
Unit cell lengths	107.621, 107.621, 89.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.761 - 2.200
R-factor	0.172
Rwork	0.170
R-free	0.20600
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.745
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]	29.761	29.760	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.134	0.055	0.931
Total number of observations		2377	16668
Number of reflections	30727
<I/σ(I)>	11.8	33.8	2.2
Completeness [%]	100.0	96.5	100
Redundancy	7.4	6.3	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	277	1.6000M (NH4)2SO4, 0.1M Citrate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K