4TSS

TOXIC SHOCK SYNDROME TOXIN-1: TETRAGONAL P4(1)2(1)2 CRYSTAL FORM

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1994-01
Detector	RIGAKU
Spacegroup name	P 41 21 2
Unit cell lengths	47.300, 47.300, 205.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	5.000 - 2.750
R-factor	0.191
Rwork	0.191
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1TSS
RMSD bond length	0.015
RMSD bond angle	24.800 *
Data reduction software	MSC
Data scaling software	MSC
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	3.000
High resolution limit [Å]	2.180	2.750
Rmerge	0.068 *
Number of reflections	6274
<I/σ(I)>	6.45
Completeness [%]	50.0	50
Redundancy	3.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6		14% PEG 8000, 0.2 M ZN ACETATE, 0.1 M NA CACODYLATE, PH 6, pH 6.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	14 (%)
2	1	reservoir	zinc acetate	0.2 (M)
3	1	reservoir	Na-cacodylate	0.1 (M)