1K46

Crystal Structure of the Type III Secretory Domain of Yersinia YopH Reveals a Domain-Swapped Dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1998-08-11
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	47.900, 120.700, 48.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 2.200
R-factor	0.224 *
Rwork	0.224
R-free	0.25800 *
Structure solution method	MIR
Starting model (for MR)	de novo
RMSD bond length	0.005
RMSD bond angle	1.115
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.136
Total number of observations	68285 *
Number of reflections	7503	720 *
<I/σ(I)>	20.8	16.2
Completeness [%]	99.8	99.9
Redundancy	6.2	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.2 *	22 *	PEG 8000, sodium chlolride, Tris , VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop		10 (mM)
2	1	drop	EDTA	1 (mM)
3	1	drop	beta-mercaptoethanol	0.1 (%)
4	1	drop	imidazole	10 (mM)	pH7.2
5	1	drop	protein	10 (mg/ml)
6	1	reservoir	PEG8000	2-10 (%)
7	1	reservoir		90-100 (mM)
8	1	reservoir	Tris-HCl	100 (mM)	pH8.5