3EO8

Crystal structure of BluB-like flavoprotein (YP_001089088.1) from CLOSTRIDIUM DIFFICILE 630 at 1.74 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	2008-08-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97918,0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	51.843, 183.265, 74.393
Unit cell angles	90.00, 104.89, 90.00

Refinement procedure

Resolution	48.337 - 1.740
R-factor	0.159
Rwork	0.156
R-free	0.19800
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.334
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX (AUTOSHARP)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.337	48.337	1.800
High resolution limit [Å]	1.740	3.740	1.740
Rmerge	0.120	0.043	0.711
Number of reflections	133857	13693	12773
<I/σ(I)>	8.64	21.9	1.9
Completeness [%]	97.8	98.5	96.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	15.0000% Glycerol, 0.1700M NH4OAc, 25.5000% PEG-4000, 0.1M Acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K