4J8Q

Crystal structure of a NigD-like protein (BF0700) from Bacteroides fragilis NCTC 9343 at 2.50 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-01-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97944,0.97853
Spacegroup name	C 2 2 21
Unit cell lengths	79.556, 124.425, 56.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.767 - 2.500
R-factor	0.1986
Rwork	0.196
R-free	0.25050
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.156
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.767		2.590
High resolution limit [Å]	2.500	5.350	2.500
Rmerge	0.100	0.046	0.600
Number of reflections	9419	1665	1698
<I/σ(I)>	7.6	17	1.5
Completeness [%]	90.2	87.6	92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M ammonium nitrate, 20% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K