4PQX

Crystal structure of a NigD-like protein (BACCAC_02139) from Bacteroides caccae ATCC 43185 at 2.39 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	2013-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97949,0.97862
Spacegroup name	P 21 21 21
Unit cell lengths	51.673, 143.419, 143.022
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.614 - 2.390
R-factor	0.1883
Rwork	0.186
R-free	0.22220
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.614	48.614	2.480
High resolution limit [Å]	2.390	5.120	2.390
Rmerge	0.075	0.035	0.737
Number of reflections	42698	4603	4421
<I/σ(I)>	14.45	34	1.9
Completeness [%]	99.0	98.3	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	277	5.00% Glycerol, 21.00% polyethylene glycol 4000, 13.00% 2-propanol, 0.1M sodium citrate - citric acid pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K