1D1I

MUTATED SHIGA-LIKE TOXIN B SUBUNIT (W34A) COMPLEXED WITH RECEPTOR GB3 ANALOGUE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1997-02-20
Detector	MACSCIENCE
Spacegroup name	P 1
Unit cell lengths	44.232, 44.136, 53.881
Unit cell angles	106.04, 106.37, 99.22

Refinement procedure

Resolution	19.700 - 1.700
Rwork	0.191
R-free	0.21100
RMSD bond length	0.014
RMSD bond angle	1.600
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.081	0.362
Number of reflections	36339
<I/σ(I)>	13.9
Completeness [%]	91.1	61.6
Redundancy	2.2	1.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	10% (NH4)2SO4, 5% propanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K