2BOS

A MUTANT SHIGA-LIKE TOXIN IIE BOUND TO ITS RECEPTOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1994-11-15
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	62.077, 78.618, 78.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.000 - 2.000
R-factor	0.155
Rwork	0.155
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BOV
RMSD bond length	0.015
RMSD bond angle	24.400 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.102 *	0.222 *
Total number of observations	308496 *
Number of reflections	25704
<I/σ(I)>	13.5	1.66
Completeness [%]	95.3	87.2 *
Redundancy	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.4		drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir		1 (M)
3	1	reservoir	Tris-HCl	10 (mM)