3K0Y

Crystal structure of Putative TOXIN related protein (YP_001303978.1) from Parabacteroides distasonis ATCC 8503 at 2.16 A resolution

Experimental procedure

Experimental method	MAD
Detector technology	CCD
Collection date	2009-07-31
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 31 2 1
Unit cell lengths	71.722, 71.722, 102.566
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.559 - 2.160
R-factor	0.205
Rwork	0.203
R-free	0.23500
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.596
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.559	39.559	2.240
High resolution limit [Å]	2.160	4.640	2.160
Rmerge	0.032	0.017	0.688
Number of reflections	16892	3156	3289
<I/σ(I)>	19.28	54.9	1.8
Completeness [%]	99.4	98.3	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.79	277	5.0000% polyethylene glycol 3000, 44.0000% polyethylene glycol 400, 0.1M MES pH 5.79, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP
1	VAPOR DIFFUSION, SITTING DROP	5.79	277	5.0000% polyethylene glycol 3000, 44.0000% polyethylene glycol 400, 0.1M MES pH 5.79, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP
1	VAPOR DIFFUSION, SITTING DROP	5.79	277	5.0000% polyethylene glycol 3000, 44.0000% polyethylene glycol 400, 0.1M MES pH 5.79, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP