2IY9

Crystal structure of the A-subunit of the AB5 toxin from E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-07-27
Detector	RAXIS
Spacegroup name	P 21 21 21
Unit cell lengths	44.967, 78.987, 95.782
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.2
Rwork	0.200
R-free	0.23000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mee
RMSD bond length	0.009
RMSD bond angle	1.199
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.050	0.150
Number of reflections	31757
<I/σ(I)>	15	2
Completeness [%]	99.0	88
Redundancy	2.1	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1