3KLB

Crystal structure of Putative Flavoprotein in Complex with FMN (YP_213683.1) from Bacteroides fragilis NCTC 9343 at 1.75 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	2009-05-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97939,0.97927
Spacegroup name	P 43 21 2
Unit cell lengths	96.764, 96.764, 47.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.832 - 1.750
R-factor	0.15
Rwork	0.148
R-free	0.17900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.548
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.832	27.832	1.810
High resolution limit [Å]	1.750	3.760	1.750
Rmerge	0.057	0.019	0.732
Number of reflections	23388	4420	3959
<I/σ(I)>	17.33	59.9	1.9
Completeness [%]	99.2	99.4	94.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	10.0000% Glycerol, 1.2600M sodium citrate, 0.1M HEPES pH 7.5, Additive: 0.001 M FMN, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K