1DTP

THE STRUCTURE OF THE ISOLATED CATALYTIC DOMAIN OF DIPHTHERIA TOXIN

Experimental procedure

Spacegroup name	C 1 2 1
Unit cell lengths	55.700, 43.900, 73.900
Unit cell angles	90.00, 101.50, 90.00

Refinement procedure

Resolution	10.000 - 2.500
R-factor	0.197
Rwork	0.197
RMSD bond length	0.023
RMSD bond angle	1.700 *
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
High resolution limit [Å]	2.500 *	2.500 *
Rmerge	0.062 *	0.189 *
Number of reflections	5315 *
Completeness [%]	83.7 *	80.4 *

Crystallization Conditions

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

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	9 (mg/ml)
2	1	reservoir		25-75 (mM)
3	1	reservoir		0-5 (mM)
4	1	reservoir	dithiothreitol	5 (mM)
5	1	reservoir	PEG3350	28 (%)	precipitant
6	1	reservoir		100 (mM)