1XDT

COMPLEX OF DIPHTHERIA TOXIN AND HEPARIN-BINDING EPIDERMAL GROWTH FACTOR

Experimental procedure

Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1996-10
Detector	MACSCIENCE
Spacegroup name	C 2 2 21
Unit cell lengths	89.400, 103.700, 127.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.650
R-factor	0.172
Rwork	0.172
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mdt
RMSD bond length	0.009
RMSD bond angle	24.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.740
High resolution limit [Å]	2.650	2.650
Rmerge	0.052	0.152
Number of reflections	54532
<I/σ(I)>	27.9	5
Completeness [%]	88.5	79.2
Redundancy	3.6	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	23 *	PROTEIN (15 MG/ML) IN 10 MM TRIS-HCL (PH 7.5), 0.15 M NACL MIXED WITH AN EQUAL VOLUME OF PRECIPITANT CONTAINING 50 MM TRIS-HCL (PH 7.5), 0.15 M NACL, 5% (V/V) GLYCEROL, 22-30% (W/V) POLYETHYLENE GLYCOL 3350; AND EQUILIBRATED BY VAPOR DIFFUSION AGAINST PRECIPITANT, vapor diffusion

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-30 (mg/ml)
2	1	drop		0.15 (M)
3	1	drop	Tris-HCl	10 (mM)
4	1	reservoir	PEG3350	22-30 (%(w/v))
5	1	reservoir		2.0 (M)
6	1	reservoir	glycerol	5 (%(v/v))
7	1	reservoir	Tris-HCl	50 (mM)