1IKQ

Pseudomonas Aeruginosa Exotoxin A, wild type

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-03-04
Detector	RIGAKU
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	59.520, 98.120, 58.260
Unit cell angles	90.00, 97.30, 90.00

Refinement procedure

Resolution	50.000 * - 1.620
R-factor	0.209
Rwork	0.209
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3A EXOTOXIN A model (ref. 3)
RMSD bond length	0.006 *
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *
High resolution limit [Å]	1.620	1.620 *
Rmerge	0.040 *	0.185 *
Total number of observations	224879 *
Number of reflections	80328 *
Completeness [%]	93.0 *	91 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	281	Collier, R.J., (1982) J. Mol. Biol., 157, 413. *
1	VAPOR DIFFUSION, HANGING DROP	8	281	Collier, R.J., (1982) J. Mol. Biol., 157, 413. *