3QWN

Crystal structure of a NigD-like immunity protein (BACCAC_03262) from Bacteroides caccae ATCC 43185 at 2.42 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	2010-07-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97901,0.97920,0.91837,0.97908
Spacegroup name	P 31
Unit cell lengths	132.310, 132.310, 163.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.712 - 2.420
R-factor	0.1773
Rwork	0.175
R-free	0.21310
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.110
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	BUSTER-TNT (2.8.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.712	29.712	2.480
High resolution limit [Å]	2.420	10.820	2.420
Rmerge		0.043	0.779
Total number of observations		5509	38299
Number of reflections	121998
<I/σ(I)>	9.8	10.7	1
Completeness [%]	99.9	95.4	100
Redundancy	4.3	4.2	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	277	30.0% polyethylene glycol 3350, 0.2M di-sodium hydrogen phosphate, 0.1M HEPES pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K