1AER

DOMAIN III OF PSEUDOMONAS AERUGINOSA EXOTOXIN COMPLEXED WITH BETA-TAD

Experimental procedure

Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1995-04
Detector	RIGAKU RAXIS II
Spacegroup name	P 43 21 2
Unit cell lengths	87.640, 87.640, 133.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.300
R-factor	0.196
Rwork	0.196
R-free	0.28500
RMSD bond length	0.012
RMSD bond angle	25.370 *
Data reduction software	DENZO
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.300	2.300 *
Rmerge	0.057
Number of reflections	22417
Completeness [%]	93.4 *	78.4 *
Redundancy	4.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEIII	10 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		0.15-0.2 (M)
4	1	drop	reservoir solution		0.002 ml
5	1	reservoir	sodium citrate	1.5 (M)
6	1	reservoir	NAD	40 (mM)