3FZX

CRYSTAL STRUCTURE OF A PUTATIVE EXPORTED PROTEIN WITH YMCC-LIKE FOLD (BF2203) FROM BACTEROIDES FRAGILIS NCTC 9343 AT 2.22 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	2008-12-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97982
Spacegroup name	P 64 2 2
Unit cell lengths	143.740, 143.740, 49.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.074 - 2.220
R-factor	0.202
Rwork	0.200
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.570
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]	29.074	29.074	2.300
High resolution limit [Å]	2.220	4.760	2.220
Rmerge	0.074	0.012	0.012
Number of reflections	15388	2884	2842
<I/σ(I)>		49	1.9
Completeness [%]	99.8	99.4	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	277	NANODROP, 0.20M Ca(OAc)2, 30.0% PEG 400, 0.1M Acetate pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K