2Q5T

Full-length Cholix toxin from Vibrio Cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-14
Detector	Bruker Platinum 135
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	50.936, 88.338, 79.934
Unit cell angles	90.00, 95.32, 90.00

Refinement procedure

Resolution	33.310 - 2.100
R-factor	0.19371
Rwork	0.191
R-free	0.23925
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Domain I and II of Pseudomonas exotoxin A - PDB entry 1IKQ. Domain III (the catalytic fragment of Cholix - PDB ENTRY ?)
RMSD bond length	0.008
RMSD bond angle	1.031
Data reduction software	PROTEUM2
Data scaling software	SAINT
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.150
High resolution limit [Å]	2.050	2.050
Number of reflections	43440
<I/σ(I)>	8.62	1.31
Completeness [%]	98.1	88.8
Redundancy	3.9	1.97

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	23% PEG 10.000, 7.5% Ethylene Glycol, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K