1QOH

A MUTANT SHIGA-LIKE TOXIN IIE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1993-08-15
Detector	SIEMENS
Spacegroup name	P 1 21 1
Unit cell lengths	113.490, 54.510, 116.890
Unit cell angles	90.00, 109.12, 90.00

Refinement procedure

Resolution	21.000 - 2.350
R-factor	0.188
Rwork	0.188
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BOV AND 2BOS
RMSD bond length	0.012
RMSD bond angle	24.100 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	CNS (0.5)
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.360	2.490
High resolution limit [Å]	2.350	2.350
Rmerge	0.084	0.330
Total number of observations	62524 *
Number of reflections	34188
<I/σ(I)>	8.415	0.968
Completeness [%]	60.1	24.85 *
Redundancy	1.83	1.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4		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	10 (mg/ml)
2	1	reservoir	PEG8000	8 (%)
3	1	reservoir		0.1 (M)
4	1	reservoir	imidazole	0.1 (M)