1C4Q

MUTATED SHIGA-LIKE TOXIN B SUBUNIT (F30A/W34A) COMPLEXED WITH RECEPTOR GB3 ANALOGUE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1998-05-01
Detector	SIEMENS
Spacegroup name	P 1
Unit cell lengths	44.269, 44.165, 54.007
Unit cell angles	106.24, 106.69, 98.87

Refinement procedure

Resolution	38.700 - 1.520
R-factor	0.17
Rwork	0.170
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bos
RMSD bond length	0.020
RMSD bond angle	1.900
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	AMoRE
Refinement software	CNS (0.3D)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700
High resolution limit [Å]	1.520	1.520
Rmerge	0.056	0.287
Number of reflections	54074
Completeness [%]	96.7	82.7
Redundancy	3.2	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		pH 7.5